Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 5/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ACACB | O00763 | 1/20 | 0.35 |
| ▸ | ACACA | Q13085 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12924254 | 1.00 | NPC1 (0.45) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL12924298 | 0.83 | ESR1 (0.42) | SMN1; SMN2MAPTALDH1A1KDM4EHPGD | |
| SCHEMBL12924307 | 0.83 | ESR1 (0.42) | SMN1; SMN2MAPTALDH1A1KDM4EHPGD | |
| SCHEMBL12924414 | 0.79 | RAB9A (0.43) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL12924273 | 0.76 | PTP4A3 (0.44) | NPC1RAB9AKDM4E | |
| SCHEMBL12924376 | 0.76 | MAPK14 (0.32) | NPC1RAB9AMAPTTHRB | |
| SCHEMBL12924339 | 0.75 | RARB (0.32) | MAPTTHRB | |
| SCHEMBL2494388 | 0.73 | CYP3A4 (0.55) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL11521061 | 0.72 | RAB9A (0.51) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL12924378 | 0.72 | MAPK14 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8294144-B2 | Organic transistor | YAMAMOTO CHEMICALS, INC. (JP) | 2012-10-23 | — | — | US | disclosed |
| US-20110012098-A1 | ORGANIC TRANSISTOR | YAMAMOTO CHEMICALS, INC. (JP) | 2011-01-20 | — | — | US | disclosed |