Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | VCP | P55072 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13315403 | 0.85 | DUT (0.38) | BACE1VCPHSP90AA1NTSR1ALDH1A1 | |
| SCHEMBL4705631 | 0.81 | ADRB2 (0.38) | ALDH1A1KMT2ASMN1; SMN2MEN1HPGD | |
| SCHEMBL7402519 | 0.79 | NPSR1 (0.35) | BACE1ALDH1A1TDP1TSHRKMT2A | |
| SCHEMBL4949794 | 0.77 | — | — | |
| SCHEMBL7393264 | 0.77 | RIPK1 (0.46) | ALDH1A1SMN1; SMN2POLBLMNACYP1A2 | |
| SCHEMBL1712501 | 0.76 | NPC1 (0.45) | ALDH1A1TDP1TSHRKMT2AMAPK1 | |
| SCHEMBL12499425 | 0.74 | — | — | |
| SCHEMBL9433444 | 0.74 | L3MBTL1 (0.46) | ALDH1A1TDP1KMT2AMAPK1SMN1; SMN2 | |
| SCHEMBL8526099 | 0.73 | CYP1A2 (0.41) | ALDH1A1KMT2AMEN1CYP3A4KDM4E | |
| SCHEMBL6639146 | 0.73 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8673911-B2 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2014-03-18 | — | — | US | disclosed |
| US-8673911-B2 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2014-03-18 | — | — | US | disclosed |
| US-8673911-B2 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2014-03-18 | — | — | US | disclosed |
| US-20140045850-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2014-02-13 | — | — | US | disclosed |
| US-20140045850-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2014-02-13 | — | — | US | disclosed |
| US-20140045850-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2014-02-13 | — | — | US | disclosed |
| US-20110021771-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2011-01-27 | — | — | US | disclosed |
| US-20110021771-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2011-01-27 | — | — | US | disclosed |
| EP-2217588-A1 | INHIBITORS OF HISTONE DEACETYLASE | Methylgene, Inc. (CA) | 2010-08-18 | — | — | EP | disclosed |
| US-7723365-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2010-05-25 | — | — | US | disclosed |
| US-7723365-B2 | Mitotic kinesin inhibitors | MERCK & CO., INC. (US) | 2010-05-25 | — | — | US | disclosed |
| EP-1781286-A4 | MITOTIC KINESIN INHIBITORS | MERCK & CO INC (US) | 2009-06-10 | — | — | EP | disclosed |
| WO-2009055917-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2009-05-07 | — | — | WO | disclosed |
| US-20080153887-A1 | Mitotic Kinesin Inhibitors | MERCK & CO., INC. (US) | 2008-06-26 | — | — | US | disclosed |
| US-20080153887-A1 | Mitotic Kinesin Inhibitors | MERCK & CO., INC. (US) | 2008-06-26 | — | — | US | disclosed |
| EP-1781286-A2 | MITOTIC KINESIN INHIBITORS | Merck & Co., Inc. (US) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006031348-A2 | MITOTIC KINESIN INHIBITORS | MERCK & CO., INC. (US) | 2006-03-23 | — | — | 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-20110021771-A1 | INHIBITORS OF HISTONE DEACETYLASE | HDAC1, HDAC11, HDAC3 | BACE1 1378/4885VCP 4364/4885HSP90AA1 1942/4885 |
| US-20080153887-A1 | Mitotic Kinesin Inhibitors | KIF2C, KIF5B, KIF23 | BACE1 3782/4885VCP 728/4885HSP90AA1 797/4885 |
| US-20140045850-A1 | INHIBITORS OF HISTONE DEACETYLASE | HDAC1, HDAC11, HDAC3 | BACE1 1378/4885VCP 4364/4885HSP90AA1 1942/4885 |
“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.