Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 6/20 | 0.39 |
| ▸ | ACVR2A | P27037 | 1/20 | 0.38 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.32 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3096057 | 0.86 | RAB9A (0.43) | ACVR2ATGFBR2ALDH1A1SMN1; SMN2MTNR1A | |
| SCHEMBL3087669 | 0.85 | ACVR2A (0.42) | ACVR2ATGFBR2HTTKDRALDH1A1 | |
| SCHEMBL3073485 | 0.85 | ACVR2A (0.41) | ACVR2ATGFBR2KDRALDH1A1MAPK1 | |
| SCHEMBL3083668 | 0.83 | ACVR2A (0.41) | ACVR2ATGFBR2HTTKDRALDH1A1 | |
| SCHEMBL3078380 | 0.83 | ACVR2A (0.50) | ACVR2ATGFBR2HTTKDRALDH1A1 | |
| SCHEMBL3094264 | 0.83 | ACVR2A (0.36) | NTRK1ACVR2ATGFBR2HTTKDR | |
| SCHEMBL3078154 | 0.82 | ACVR2A (0.35) | NTRK1ACVR2ATGFBR2HTTKDR | |
| SCHEMBL3085171 | 0.81 | ACVR2A (0.37) | NTRK1ACVR2ATGFBR2HTTKDR | |
| SCHEMBL3071384 | 0.80 | XDH (0.38) | NTRK1ACVR2ATGFBR2KDRMAPT | |
| SCHEMBL3093008 | 0.79 | ACVR2A (0.36) | NTRK1ACVR2ATGFBR2KDRAURKA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7790902-B2 | Isothiazole derivatives useful as anticancer agents | PFIZER, INC. (US) | 2010-09-07 | — | — | 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 |
| 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-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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 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 | NTRK1 4363/4885ACVR2A 4702/4885TGFBR2 3414/4885 |
| 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 | NTRK1 772/4885ACVR2A 2547/4885TGFBR2 1883/4885 |
| US-20030149048-A1 | Isothiazole derivatives useful as anticancer agents | TP53, MCL1, ACIN1 | NTRK1 4363/4885ACVR2A 4702/4885TGFBR2 3414/4885 |
“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.