Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL2358970 | 0.69 | POLB (0.52) | MAPTKMT2AMEN1 | |
| SCHEMBL7410329 | 0.68 | POLB (0.55) | ALDH1A1L3MBTL1MAPTGAAKMT2A | |
| SCHEMBL15418724 | 0.67 | KDM4E (0.38) | L3MBTL1CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1403521 | 0.66 | HDAC4 (0.56) | — | |
| SCHEMBL1402921 | 0.66 | HDAC3 (0.45) | ALDH1A1KDM4E | |
| SCHEMBL3160034 | 0.66 | CNR2 (0.61) | — | |
| SCHEMBL1403328 | 0.65 | HDAC3 (0.43) | — | |
| SCHEMBL1403219 | 0.64 | CTSL (0.44) | ALDH1A1MAPTHPGDLMNAKDM4E | |
| SCHEMBL7366592 | 0.64 | POLB (0.69) | ALDH1A1L3MBTL1CYP2C9CYP2C19CYP3A4 | |
| Hydrochloric Acid SCHEMBL6865246 | 0.62 | NPC1 (0.31) | NPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999026932-A1 | BY AMIDINO GROUP SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR USE AS ANTICOAGULANTS | AXYS PHARMACEUTICALS, INC. (US) | 1999-06-03 | — | — | WO | disclosed |