Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 3/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TACR2 | P21452 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9026988 | 0.95 | CYP3A4 (0.41) | TACR1OPRD1OPRK1CYP1A2CYP2C9 | |
| SCHEMBL9027486 | 0.94 | MEN1 (0.41) | TACR1OPRD1OPRK1CYP1A2CYP2C9 | |
| SCHEMBL8884315 | 0.91 | TACR1 (0.42) | TACR1OPRD1OPRK1CYP1A2CYP2C9 | |
| SCHEMBL8882055 | 0.90 | TACR1 (0.46) | TACR1OPRD1OPRK1CNR1TACR2 | |
| SCHEMBL8883694 | 0.90 | TACR1 (0.46) | TACR1OPRD1OPRK1CNR1TACR2 | |
| SCHEMBL8884286 | 0.90 | TACR1 (0.42) | TACR1OPRD1OPRK1CYP1A2CYP2C9 | |
| SCHEMBL8883348 | 0.90 | TACR1 (0.42) | TACR1OPRD1OPRK1CYP1A2CYP2C9 | |
| SCHEMBL8882802 | 0.89 | TACR1 (0.40) | TACR1OPRD1OPRK1CYP1A2CYP2C9 | |
| SCHEMBL8883296 | 0.89 | TACR1 (0.41) | TACR1OPRD1OPRK1CYP1A2CYP2C9 | |
| SCHEMBL8882764 | 0.88 | TACR1 (0.41) | TACR1OPRD1OPRK1CYP1A2CYP2C9 |
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-5607947-A | Pyrrolidinyl tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 1997-03-04 | — | — | US | disclosed |
| EP-0714891-A1 | Heterocyclic tachykinin receptor antagonists | ELI LILLY AND COMPANY (US) | 1996-06-05 | — | — | EP | disclosed |