Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 6/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 5/20 | 0.46 |
| ▸ | HTR7 | P34969 | 5/20 | 0.46 |
| ▸ | DRD2 | P14416 | 4/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MITF | O75030 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
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 | 0.91 | ALDH1A1 (0.48) | OPRM1SIGMAR1HTR2AHTR7DRD2 | |
| SCHEMBL7678632 | 0.88 | TACR2 (0.50) | OPRM1SIGMAR1HTR2AHTR7DRD2 | |
| SCHEMBL7678792 | 0.82 | ALDH1A1 (0.47) | HTR2AHTR7DRD2KCNH2ALDH1A1 | |
| SCHEMBL7675804 | 0.77 | HTR6 (0.55) | HTR2AHTR7DRD2KCNH2PRKACA | |
| SCHEMBL7677881 | 0.76 | HTR1A (0.57) | HTR2AHTR7ALDH1A1NPC1CYP1A2 | |
| SCHEMBL7677363 | 0.72 | NPSR1 (0.54) | ALDH1A1NPC1RAB9AMEN1MITF | |
| SCHEMBL7676036 | 0.72 | MEN1 (0.51) | ALDH1A1NPC1RAB9AMEN1MITF | |
| SCHEMBL4666381 | 0.71 | ALDH1A1 (0.56) | HTR2AHTR7ALDH1A1NPC1RAB9A | |
| SCHEMBL7677327 | 0.70 | MAPT (0.45) | ALDH1A1NPC1RAB9AMEN1MITF | |
| SCHEMBL23595632 | 0.69 | HTR2A (0.83) | HTR2AHTR7DRD2KCNH2ALDH1A1 |
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 |