Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.44 |
| ▸ | PRKAB2 | O43741 | 3/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.43 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.43 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.43 |
| ▸ | PRKAG3 | Q9UGI9 | 3/20 | 0.43 |
| ▸ | PRKAG2 | Q9UGJ0 | 3/20 | 0.43 |
| ▸ | PRKAB1 | Q9Y478 | 3/20 | 0.43 |
| ▸ | FLT1 | P17948 | 2/20 | 0.43 |
| ▸ | FLT4 | P35916 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2154778 | 0.76 | CYP1A2 (0.57) | NPC1RAB9AACHEMEN1LMNA | |
| SCHEMBL16186207 | 0.74 | CYP11B2 (0.48) | — | |
| SCHEMBL16183288 | 0.72 | CYP11B1 (0.40) | NPC1RAB9ALMNACYP1A2CYP3A4 | |
| SCHEMBL27904606 | 0.70 | AVPR1B (0.49) | NPC1RAB9AMEN1LMNACYP1A2 | |
| SCHEMBL16183286 | 0.70 | CHRNB2 (0.47) | NPC1RAB9ALMNACYP1A2CYP3A4 | |
| SCHEMBL29557223 | 0.70 | ACHE (0.57) | NPC1RAB9AACHETNK2PRKAB2 | |
| SCHEMBL30586331 | 0.70 | CHRNB2 (0.78) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL16183287 | 0.69 | CHRNB2 (0.49) | MEN1LMNACYP1A2CYP3A4KMT2A | |
| SCHEMBL14474103 | 0.68 | CYP1A2 (0.51) | MEN1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8812226 | 0.68 | NPC1 (0.60) | NPC1RAB9ACYP1A2LTA4H |
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 |
|---|---|---|---|---|---|---|---|
| EP-2521549-A1 | THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | Otsuka Pharmaceutical Co., Ltd. (JP) | 2012-11-14 | — | — | EP | disclosed |
| WO-2011082337-A1 | THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE | GALENEA CORP. (US) | 2011-07-07 | — | — | WO | disclosed |