Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | CPT2 | P23786 | 3/20 | 0.35 |
| ▸ | CPT1A | P50416 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 2/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | CASP2 | P42575 | 1/20 | 0.34 |
| ▸ | UCHL1 | P09936 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9053975 | 0.74 | ALDH1A1 (0.39) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9053967 | 0.74 | ALDH1A1 (0.39) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9058244 | 0.73 | DVL1 (0.36) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9057246 | 0.73 | ACHE (0.45) | — | |
| SCHEMBL9058245 | 0.73 | DVL1 (0.36) | NPC1RAB9ASMN1; SMN2CYP1A2CYP3A4 | |
| SCHEMBL9057242 | 0.73 | ACHE (0.45) | — | |
| SCHEMBL9056435 | 0.73 | HPGDS (0.41) | NPC1RAB9ASMN1; SMN2MAPTCPT2 | |
| SCHEMBL9056444 | 0.73 | HPGDS (0.41) | NPC1RAB9ASMN1; SMN2MAPTCPT2 | |
| Hydrochloric Acid SCHEMBL9057145 | 0.72 | HPGDS (0.40) | NPC1RAB9ASMN1; SMN2MAPTCPT2 | |
| SCHEMBL9059231 | 0.71 | MAPT (0.39) | NPC1RAB9ASMN1; SMN2MAPTCYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996004271-A1 | CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-02-15 | — | — | WO | disclosed |