Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ANPEP | P15144 | 1/20 | 0.44 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.44 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL16931708 | 0.81 | KCNH2 (0.56) | ALDH1A1MAPTNPC1LMNATSHR | |
| SCHEMBL6211498 | 0.81 | KCNH2 (0.56) | ALDH1A1MAPTNPC1LMNATSHR | |
| SCHEMBL27495004 | 0.79 | ACP3 (0.48) | ALDH1A1HTR2ASMN1; SMN2TAAR1SIGMAR1 | |
| SCHEMBL1147908 | 0.79 | ACP3 (0.48) | ALDH1A1HTR2ASMN1; SMN2TAAR1SIGMAR1 | |
| SCHEMBL27583120 | 0.79 | ALDH1A1 (0.65) | ALDH1A1CYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL18063402 | 0.78 | TSHR (0.56) | ALDH1A1CYP1A2CYP2C19HTR2AMEN1 | |
| SCHEMBL13946243 | 0.77 | CYP1A2 (0.67) | ALDH1A1CYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL23705848 | 0.75 | TSHR (0.49) | ALDH1A1CYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL5661624 | 0.75 | TSHR (0.61) | ALDH1A1CYP2C19MEN1KMT2ATSHR | |
| SCHEMBL11619999 | 0.75 | CYP19A1 (0.50) | ALDH1A1CYP1A2CYP2C19MEN1KMT2A |
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-2000076512-A1 | CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-12-21 | — | — | WO | disclosed |