Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | BUB1 | O43683 | 7/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 4/20 | 0.33 |
| ▸ | RAB9A | P51151 | 4/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | STAT1 | P42224 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6096011 | 0.89 | BUB1 (0.35) | BUB1TP53MEN1KMT2A | |
| SCHEMBL7384846 | 0.87 | RAB9A (0.34) | TSHRL3MBTL1BUB1SMN1; SMN2ROCK2 | |
| SCHEMBL6093301 | 0.83 | BUB1 (0.33) | BUB1ROCK2ROCK1 | |
| SCHEMBL8584124 | 0.83 | KMT2A (0.45) | TSHRSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL4899666 | 0.78 | MAPT (0.50) | SMN1; SMN2NPC1RAB9ATP53NFKB1 | |
| SCHEMBL6095975 | 0.77 | MAPT (0.40) | TSHRSMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL7385161 | 0.76 | BUB1 (0.49) | L3MBTL1BUB1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7398647 | 0.76 | MAPT (0.53) | TSHRSMN1; SMN2NPC1RAB9ATP53 | |
| SCHEMBL7388445 | 0.76 | NPC1 (0.50) | NPC1RAB9AKMT2A | |
| SCHEMBL7392028 | 0.75 | GSK3B (0.45) | BUB1NPC1MEN1KMT2A |
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-7109351-B1 | Fused pyrrolecarboxamides; GABA brain receptor ligands | NEUROGEN CORPORATION (US) | 2006-09-19 | — | — | US | disclosed |