Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.61 |
| ▸ | CNR2 | P34972 | 7/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL10473950 | 0.93 | CYP2C19 (0.52) | CYP2C19CNR2MAPTMCHR1CNR1 | |
| SCHEMBL627250 | 0.88 | TAAR1 (0.53) | CYP2C19CNR2ALDH1A1S1PR1TAAR1 | |
| SCHEMBL13779233 | 0.85 | S1PR1 (0.46) | CYP2C19CNR2CNR1S1PR1TAAR1 | |
| SCHEMBL28819131 | 0.84 | TAAR1 (0.43) | CYP2C19CNR2ALDH1A1S1PR1TAAR1 | |
| SCHEMBL11669812 | 0.81 | TAAR1 (0.54) | CNR2CNR1ALDH1A1NR3C1LMNA | |
| SCHEMBL22340686 | 0.80 | TAAR1 (0.52) | CNR2MAPTCNR1ALDH1A1LMNA | |
| SCHEMBL20871284 | 0.80 | TAAR1 (0.52) | CNR2MAPTCNR1ALDH1A1LMNA | |
| SCHEMBL11320797 | 0.80 | CYP2C19 (0.54) | CYP2C19CNR2MAPTMCHR1CNR1 | |
| SCHEMBL11670174 | 0.78 | BCHE (0.52) | CYP2C19MAPTALDH1A1LMNA | |
| SCHEMBL27949945 | 0.77 | CRHBP (0.57) | CYP2C19ALDH1A1NR3C1LMNAMEN1 |
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-3994974-A | BRONCHODILATORS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) | 1976-11-30 | — | — | US | disclosed |