Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 5/20 | 0.35 |
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10797048 | 0.91 | GRIN2D (0.40) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL10964987 | 0.90 | ESR1 (0.36) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11199584 | 0.90 | PDE2A (0.36) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL10708609 | 0.88 | CNR2 (0.44) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL11003151 | 0.86 | GRIN2D (0.53) | CYP2D6CYP2C9GRIN2DGRIN3BGRIN1 | |
| SCHEMBL10411897 | 0.84 | SHBG (0.48) | KIF11 | |
| SCHEMBL10990329 | 0.84 | RIPK1 (0.40) | HIF1AKIF11CNR2CNR1 | |
| SCHEMBL10801277 | 0.83 | ESR1 (0.38) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL10970893 | 0.83 | ESR1 (0.38) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL10995477 | 0.82 | TAAR1 (0.48) | CYP2D6KIF11 |
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-4554379-A | POLYAMIDES, DRUGS | CIBA GEIGY CORPORATION (US) | 1985-11-19 | — | — | US | disclosed |
| EP-0069063-A1 | Aminoalkyl-substituted aromatic or heterocyclic compounds and process for their preparation | CIBA-GEIGY AG (CH) | 1983-01-05 | — | — | EP | disclosed |