Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 2/20 | 0.50 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 4/20 | 0.45 |
| ▸ | HTR7 | P34969 | 4/20 | 0.45 |
| ▸ | DRD2 | P14416 | 2/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7671809 | 0.90 | ALDH1A1 (0.48) | CYP2D6HTR2AHTR7DRD2OPRM1 | |
| SCHEMBL7677414 | 0.88 | OPRM1 (0.46) | CYP2D6HTR2AHTR7DRD2OPRM1 | |
| SCHEMBL7678792 | 0.82 | ALDH1A1 (0.47) | HTR2AHTR7DRD2KCNH2ALDH1A1 | |
| SCHEMBL7675804 | 0.76 | HTR6 (0.55) | HTR2AHTR7DRD2KCNH2 | |
| SCHEMBL13763428 | 0.76 | TACR2 (0.57) | TACR2CHRM3CYP2D6ALDH1A1KDM4E | |
| SCHEMBL7677881 | 0.76 | HTR1A (0.57) | CYP2D6HTR2AHTR7ALDH1A1CYP1A2 | |
| SCHEMBL7677363 | 0.73 | NPSR1 (0.54) | ALDH1A1KDM4ELMNAKMT2AMEN1 | |
| SCHEMBL13757476 | 0.73 | TACR2 (0.54) | TACR2CHRM3CYP2D6HTR2AHTR7 | |
| SCHEMBL7839785 | 0.73 | OPRM1 (0.48) | OPRM1SIGMAR1ALDH1A1LMNACYP2C19 | |
| SCHEMBL29336734 | 0.71 | CYP2D6 (0.48) | TACR2CHRM3CYP2D6HTR2AHTR7 |
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 |
|---|---|---|---|---|---|---|---|
| US-6472418-B1 | Non-peptide NK1 receptors antagonists | WARNER-LAMBERT COMPANY | 2002-10-29 | — | — | US | disclosed |