Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.59 |
| ▸ | TP53 | P04637 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | ATM | Q13315 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.53 |
| ▸ | MGLL | Q99685 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.43 |
| ▸ | RCOR1 | Q9UKL0 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6532124 | 0.88 | NPC1 (0.60) | NPC1RAB9ATP53MAPTALDH1A1 | |
| SCHEMBL6528645 | 0.86 | TSHR (0.55) | NPC1RAB9ATP53MAPTALDH1A1 | |
| SCHEMBL6527452 | 0.83 | NPC1 (0.51) | NPC1RAB9ATP53MAPTALDH1A1 | |
| SCHEMBL8116943 | 0.81 | TSHR (0.61) | NPC1RAB9ATP53MAPTALDH1A1 | |
| SCHEMBL6529620 | 0.81 | SMN1; SMN2 (0.50) | NPC1RAB9ATP53MAPTALDH1A1 | |
| SCHEMBL22808203 | 0.81 | TP53 (0.61) | NPC1RAB9ATP53MAPTALDH1A1 | |
| SCHEMBL8133353 | 0.80 | NPC1 (0.58) | NPC1RAB9ATP53MAPTALDH1A1 | |
| SCHEMBL3831190 | 0.78 | SMN1; SMN2 (0.55) | NPC1RAB9ATP53MAPTALDH1A1 | |
| SCHEMBL8125827 | 0.77 | TSHR (0.54) | NPC1RAB9ATP53MAPTALDH1A1 | |
| SCHEMBL8139504 | 0.77 | ALDH1A1 (0.59) | NPC1RAB9ATP53MAPTALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005082897-A1 | OXAZOLIDINONE ANTIBACTERIAL AGENTS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2005-09-09 | — | — | WO | disclosed |
| WO-2005028474-A2 | PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-03-31 | — | — | WO | disclosed |