Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | PIK3CA | P42336 | 4/20 | 0.51 |
| ▸ | PIK3CB | P42338 | 4/20 | 0.51 |
| ▸ | PIK3CG | P48736 | 4/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.49 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.49 |
| ▸ | CLK1 | P49759 | 2/20 | 0.49 |
| ▸ | CLK2 | P49760 | 2/20 | 0.49 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.49 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28294649 | 0.81 | NPC1 (0.87) | NPC1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL16608063 | 0.80 | NPC1 (0.63) | NPC1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL27558773 | 0.79 | MEN1 (0.56) | NPC1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL27268396 | 0.79 | NPC1 (0.61) | NPC1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL2983473 | 0.79 | NPC1 (0.61) | NPC1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL212750 | 0.79 | NPC1 (0.61) | NPC1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL2733830 | 0.76 | NPC1 (0.58) | NPC1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL28135254 | 0.76 | NPC1 (0.77) | NPC1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL2759646 | 0.76 | NPC1 (0.58) | NPC1MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL4065211 | 0.76 | MAPT (0.56) | NPC1MEN1KMT2AMAPTALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8088805-B2 | Inhibitors of histone deacetylase | METHYLGENE INC. (CA) | 2012-01-03 | — | — | US | disclosed |
| US-20070213330-A1 | Anticancer agents; antiproliferative agents | METHYLGENE INC. (CA) | 2007-09-13 | — | — | US | disclosed |
| EP-1735319-A1 | INHIBITORS OF HISTONE DEACETYLASE | Methylgene, Inc. (CA) | 2006-12-27 | — | — | EP | disclosed |
| US-7002020-B1 | Oxazolidinone combinatorial libraries, compositions and methods of preparation | PHARMACIA & UPJOHN COMPANY (US) | 2006-02-21 | — | — | US | disclosed |
| WO-2005092899-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2005-10-06 | — | — | WO | disclosed |
| US-20050004174-A1 | Antibacterial agents | GORDEEV MIKHAIL F (US) | 2005-01-06 | — | — | US | disclosed |
| US-6562844-B2 | Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | disclosed |
| US-6531470-B1 | Antimicrobial compounds | PHARMACIA & UPJOHN COMPANY | 2003-03-11 | — | — | US | disclosed |
| US-6239152-B1 | Oxazolidinone combinatorial libraries, compositions and methods of preparation | PHARMACIA & UPJOHN COMPANY | 2001-05-29 | — | — | 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 (2 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-20070213330-A1 | Anticancer agents; antiproliferative agents | HDAC1, HDAC11, HDAC5 | NPC1 1293/4885MEN1 2386/4885KMT2A 68/4885 |
| US-20050004174-A1 | Antibacterial agents | PAICS, OXA1L, PNKP | NPC1 4869/4885MEN1 2807/4885KMT2A 1573/4885 |
“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.