Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 4/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 5/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7217055 | 0.94 | NPC1 (0.48) | NPC1RAB9AAURKANR3C1ABCB1 | |
| SCHEMBL7216803 | 0.90 | NR3C1 (0.41) | NPC1RAB9ANR3C1TP53EPHX2 | |
| SCHEMBL7216549 | 0.84 | ROCK2 (0.37) | NPC1RAB9AAURKANR3C1TP53 | |
| SCHEMBL7216265 | 0.83 | NPC1 (0.38) | NPC1RAB9AAURKANR3C1TP53 | |
| SCHEMBL7217034 | 0.80 | GCK (0.38) | — | |
| SCHEMBL7222815 | 0.80 | GCK (0.38) | — | |
| SCHEMBL7216813 | 0.79 | F10 (0.39) | NPC1RAB9ATP53 | |
| SCHEMBL7216626 | 0.78 | APLNR (0.44) | NPC1RAB9ATP53MAPTHPGD | |
| SCHEMBL6831069 | 0.78 | NAMPT (0.53) | NPC1RAB9AMAPTHPGDHTT | |
| SCHEMBL7216812 | 0.77 | NPC1 (0.56) | NPC1RAB9ATP53MAPTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-6653471-B2 | Tricyclic heteroaromatic compounds containing pyrrole ring; central nervous system disorder treatment; side effect reduction | NEUROGEN CORPORATION | 2003-11-25 | — | — | US | disclosed |