Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CES2 | O00748 | 3/20 | 0.44 |
| ▸ | CES1 | P23141 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL505979 | 1.00 | ALDH1A1 (0.44) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL505978 | 1.00 | ALDH1A1 (0.44) | ALDH1A1CES2CES1LMNASMN1; SMN2 | |
| SCHEMBL11814265 | 0.87 | ALDH1A1 (0.33) | ALDH1A1LMNASMN1; SMN2ATMMEN1 | |
| SCHEMBL4039683 | 0.77 | TSHR (0.50) | ALDH1A1CES2CES1LMNAATM | |
| SCHEMBL436983 | 0.77 | TSHR (0.50) | ALDH1A1CES2CES1LMNAATM | |
| SCHEMBL436984 | 0.77 | TSHR (0.50) | ALDH1A1CES2CES1LMNAATM | |
| SCHEMBL10045039 | 0.77 | MEN1 (0.50) | ALDH1A1LMNASMN1; SMN2ACHEHPGD | |
| SCHEMBL4201943 | 0.75 | TPMT (0.42) | GSK3B | |
| SCHEMBL4046998 | 0.75 | TPMT (0.42) | ALDH1A1SMN1; SMN2ACHEHPGD | |
| SCHEMBL4047000 | 0.75 | TPMT (0.42) | ALDH1A1SMN1; SMN2ACHEHPGD |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9079930-B2 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. (US) | 2015-07-14 | — | — | US | disclosed |
| US-20140349972-A1 | SUBSTITUTED PYRIMIDINES | MERCK SHARP & DOHME CORP (US) | 2014-11-27 | — | — | US | disclosed |
| US-7816386-B2 | Cinnamic, phenylpropiolic and phenylpropanoic acid derivatives useful as anti-tumor agents | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2010-10-19 | — | — | US | disclosed |
| US-7612069-B2 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-11-03 | — | — | US | disclosed |
| US-20080194659-A1 | Cinnamic, Phenylpropiolic and Phenylpropanoic Acid Derivatives Useful as Anti-Tumor Agents | SIGMA-TAU FARMACEUTICHE RIUNITE S.P.A. (IT) | 2008-08-14 | — | — | US | disclosed |
| US-7273882-B2 | Aminoacetamide acyl guanidines as β-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| US-20070015754-A1 | Acyl guanidines as beta-secretase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-01-18 | — | — | US | disclosed |
| WO-2007002214-A2 | ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |
| WO-2007002220-A2 | AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-04 | — | — | WO | disclosed |
| US-4018645-A | Method of controlling slime during paper manufacture using alpha-chloro-acylbenzaldoxime derivatives | SOMAR MANUFACTURING CO., LTD. (JA) | 1977-04-19 | — | — | US | disclosed |
| US-3983246-A | N-(sulfonyloxy) benzimidoyl halides as bactericidal or fungicidal agents | FMC CORPORATION (US) | 1976-09-28 | — | — | US | disclosed |
| US-3968240-A | α-Chloro-o-acylbenzaldoxime derivatives as slime control agents | SOMAR MANUFACTURING CO., LTD. (JA) | 1976-07-06 | — | — | 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 (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-20080194659-A1 | Cinnamic, Phenylpropiolic and Phenylpropanoic Acid Derivatives Useful as Anti-Tumor Agents | ABCC1, VHL, ABCB1 | ALDH1A1 75/4885CES2 90/4885CES1 37/4885 |
| US-20070015754-A1 | Acyl guanidines as beta-secretase inhibitors | BACE1, APP, BACE2 | ALDH1A1 2144/4885CES2 834/4885CES1 167/4885 |
| US-20140349972-A1 | SUBSTITUTED PYRIMIDINES | HIF1AN, HIF1A, EGLN3 | ALDH1A1 586/4885CES2 4477/4885CES1 2988/4885 |
“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.