Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.41 |
| ▸ | RAB9A | P51151 | 8/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4695784 | 0.86 | NPC1 (0.46) | NPC1RAB9ATP53ALDH1A1HPGD | |
| Benzene SCHEMBL5373706 | 0.76 | NPC1 (0.42) | NPC1RAB9ATP53ALDH1A1HPGD | |
| SCHEMBL27641101 | 0.75 | — | — | |
| SCHEMBL2906792 | 0.71 | — | — | |
| SCHEMBL6203474 | 0.70 | ALOX5 (0.37) | RAB9AHPGDPTGS1PTGS2POLB | |
| SCHEMBL7442304 | 0.70 | KDM4E (0.40) | NPC1RAB9AALDH1A1HPGDL3MBTL1 | |
| SCHEMBL1239684 | 0.69 | — | — | |
| Benzene SCHEMBL7938846 | 0.67 | NPC1 (0.33) | NPC1RAB9AALDH1A1HPGDMAPK1 | |
| SCHEMBL9055448 | 0.63 | MAPK1 (0.34) | L3MBTL1PTGS1PTGS2MAPK1CA12 | |
| SCHEMBL3648506 | 0.63 | — | — |
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-1996002543-A1 | 2,3-DIHYDROXY CYCLOPENTANE DERIVATIVES OF PURINES | GLAXO GROUP LIMITED (GB) | 1996-02-01 | — | — | WO | disclosed |