Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4530460 | 0.83 | NPC1 (0.61) | NPC1RAB9ACYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL17892183 | 0.83 | SMN1; SMN2 (0.46) | CYP1A2CYP2D6CYP2C19SMN1; SMN2CTSK | |
| SCHEMBL6787854 | 0.83 | SMN1; SMN2 (0.47) | CYP1A2RAB9ASMN1; SMN2ALDH1A1OPRM1 | |
| Hydrochloric Acid SCHEMBL4323386 | 0.81 | TAAR1 (0.60) | NPC1RAB9ACYP2D6CYP2C19SMN1; SMN2 | |
| SCHEMBL6788467 | 0.81 | ACACB (0.55) | CYP1A2NPC1RAB9ASMN1; SMN2TAAR1 | |
| SCHEMBL23214150 | 0.81 | GRIA4 (0.58) | NPC1RAB9ASMN1; SMN2CTSKTAAR1 | |
| SCHEMBL2553623 | 0.80 | CTSK (0.41) | CYP1A2NPC1RAB9ASMN1; SMN2CTSK | |
| SCHEMBL2553620 | 0.80 | CTSK (0.41) | CYP1A2NPC1RAB9ASMN1; SMN2CTSK | |
| SCHEMBL1554808 | 0.80 | BCAT2 (0.51) | CYP1A2NPC1RAB9ASMN1; SMN2TAAR1 | |
| SCHEMBL17373696 | 0.80 | BCAT2 (0.51) | CYP1A2NPC1RAB9ASMN1; SMN2TAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2552206-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-02-06 | — | — | EP | disclosed |
| WO-2012061342-A2 | SUBSTITUTED BENZO-IMIDAZO-PYRIDO-DIAZEPINE COMPOUNDS | ARQULE, INC. (US) | 2012-05-10 | — | — | WO | disclosed |
| WO-2011123419-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2011-10-06 | — | — | WO | disclosed |