Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR84 | Q9NQS5 | 8/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | PAM | P19021 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 6/20 | 0.38 |
| ▸ | PPARD | Q03181 | 6/20 | 0.38 |
| ▸ | PPARA | Q07869 | 6/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TLR2 | O60603 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.38 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Heptane SCHEMBL7082305 | 0.98 | GPR84 (0.46) | GPR84MEN1KMT2ANPC1PAM | |
| SCHEMBL733874 | 0.92 | MEN1 (0.46) | MEN1KMT2ANPC1ALDH1A1SLC22A6 | |
| Water SCHEMBL5878587 | 0.90 | MEN1 (0.44) | MEN1KMT2ANPC1TSHRALDH1A1 | |
| Methylene Chloride SCHEMBL4052423 | 0.87 | MEN1 (0.42) | MEN1KMT2ANPC1ALDH1A1ALOX15 | |
| Chloroform SCHEMBL7898866 | 0.87 | MEN1 (0.42) | MEN1KMT2ANPC1TSHRALDH1A1 | |
| Hexane SCHEMBL10375911 | 0.87 | GPR84 (0.44) | GPR84MEN1KMT2ANPC1AKR1B1 | |
| SCHEMBL7082309 | 0.86 | NAAA (0.47) | GPR84TSHR | |
| Hexane SCHEMBL11311103 | 0.86 | GPR84 (0.44) | GPR84MEN1KMT2ANPC1AKR1B1 | |
| SCHEMBL29014239 | 0.85 | GPR84 (0.52) | GPR84 | |
| SCHEMBL28159780 | 0.85 | ALDH1A1 (0.45) | GPR84TSHRALDH1A1TDP1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8835476-B2 | Synthesis of novel antimicrobials | WU FAN (CA) | 2014-09-16 | — | — | US | disclosed |
| US-20120157494-A1 | ISOINDOLYL COMPOUNDS | HARRIS III RALPH NEW (US) | 2012-06-21 | — | — | US | disclosed |
| US-7790902-B2 | Isothiazole derivatives useful as anticancer agents | PFIZER, INC. (US) | 2010-09-07 | — | — | US | disclosed |
| US-20100076028-A1 | Design and Synthesis of Novel Antimicrobials | WU FAN | 2010-03-25 | — | — | US | disclosed |
| US-20080300249-A1 | tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents | PFIZER, INC. (US) | 2008-12-04 | — | — | US | disclosed |
| US-7405218-B2 | Isothiazole derivatives useful as anticancer agents | PFIZER, INC. (US) | 2008-07-29 | — | — | US | disclosed |
| US-20060116331-A1 | Glycosylceramide analogues | BIOMIRA, INC. (CA) | 2006-06-01 | — | — | US | disclosed |
| EP-1084114-B1 | ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER PROD INC (US) | 2004-09-08 | — | — | EP | disclosed |
| US-20030149048-A1 | Isothiazole derivatives useful as anticancer agents | PFIZER INC. | 2003-08-07 | — | — | US | disclosed |
| US-6548526-B2 | Isothiazole derivatives useful as anticancer agents | PFIZER INC | 2003-04-15 | — | — | US | disclosed |
| US-6416735-B1 | RADIOACTIVE COMPOUND WITH HIGH BINDING SPECIFICITY FOR IMAGING AND DETECTING DISEASES SUCH AS ALZHEIMER'S DISEASE | RESEARCH TRIANGLE INSTITUTE | 2002-07-09 | — | — | US | disclosed |
| US-20010020034-A1 | Isothiazole derivatives useful as anticancer agents | PFIZER, INC. | 2001-09-06 | — | — | US | disclosed |
| US-6235764-B1 | Isothiazole derivatives useful as anticancer agents | PFIZER INC. | 2001-05-22 | — | — | US | disclosed |
| EP-1084114-A1 | ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS | Pfizer Products Inc. (US) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062890-A1 | ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER PRODUCTS INC. (US) | 1999-12-09 | — | — | WO | disclosed |
| US-5510501-A | ANTIBACTERIAL AND ANTITUMOR ACTIVITY | KYOWA HAKKO KOGYO, CO. LTD. (JP) | 1996-04-23 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20010020034-A1 | Isothiazole derivatives useful as anticancer agents | TP53, MCL1, ACIN1 | GPR84 4442/4885MEN1 933/4885KMT2A 2096/4885 |
| US-20080300249-A1 | tyrosine kinase inhibitors such as 5-(3,3-Dimethyl-ureido)-3-heptyloxy-isothiazole-4-carboxylic acid amide, used for treating hyperproliferative disorders in mammals; anticarcinogenic agents; antiproliferative agents | CDKN1A, TK1, CDK1 | GPR84 2733/4885MEN1 1782/4885KMT2A 1265/4885 |
| US-20100076028-A1 | Design and Synthesis of Novel Antimicrobials | MLX, LPXN, TPX2 | GPR84 1116/4885MEN1 4677/4885KMT2A 4407/4885 |
| US-20030149048-A1 | Isothiazole derivatives useful as anticancer agents | TP53, MCL1, ACIN1 | GPR84 4442/4885MEN1 933/4885KMT2A 2096/4885 |
| US-20060116331-A1 | Glycosylceramide analogues | UGCG, ASAH2, GBA2 | GPR84 1095/4885MEN1 1654/4885KMT2A 2052/4885 |
| US-20120157494-A1 | ISOINDOLYL COMPOUNDS | P2RX7, P2RX3, P2RX1 | GPR84 392/4885MEN1 4150/4885KMT2A 4820/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.