Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.40 |
| ▸ | USP2 | O75604 | 6/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.40 |
| ▸ | TSHR | P16473 | 5/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9028382 | 0.97 | MEN1 (0.40) | CYP3A4USP2CYP2D6TSHRGLA | |
| SCHEMBL8883348 | 0.95 | TACR1 (0.42) | USP2TACR1CNR1OPRD1OPRK1 | |
| SCHEMBL9026960 | 0.91 | TACR2 (0.42) | CYP3A4USP2CYP2D6TSHRGLA | |
| SCHEMBL9029048 | 0.91 | TACR2 (0.42) | CYP3A4USP2CYP2D6TSHRGLA | |
| SCHEMBL9027166 | 0.90 | CYP3A4 (0.40) | CYP3A4USP2CYP2D6TSHRGLA | |
| SCHEMBL9028242 | 0.90 | CYP3A4 (0.40) | CYP3A4USP2CYP2D6TSHRGLA | |
| SCHEMBL9026988 | 0.90 | CYP3A4 (0.41) | CYP3A4USP2CYP2D6TSHRGLA | |
| SCHEMBL9027624 | 0.89 | CYP3A4 (0.39) | CYP3A4USP2CYP2D6TSHRGLA | |
| SCHEMBL9028652 | 0.89 | EPHX2 (0.44) | CYP3A4USP2CYP2D6TSHRGLA | |
| SCHEMBL9027943 | 0.89 | TACR1 (0.41) | CYP3A4USP2CYP2D6TSHRGLA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0714891-A1 | Heterocyclic tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 1996-06-05 | — | — | EP | disclosed |