Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.62 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.56 |
| ▸ | IDO1 | P14902 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | DBH | P09172 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3302008 | 0.79 | PNMT (0.68) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL12345124 | 0.79 | — | — | |
| SCHEMBL283449 | 0.77 | PNMT (0.65) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL42705 | 0.77 | PNMT (1.00) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL8349402 | 0.76 | AKR1B1 (0.43) | PNMTTAAR1IDO1TSHRAKR1B1 | |
| SCHEMBL7580328 | 0.75 | PNMT (0.62) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL11025527 | 0.75 | PNMT (0.62) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL1145376 | 0.75 | PNMT (0.62) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL21814337 | 0.75 | PNMT (0.62) | PNMTTAAR1IDO1KDM4EALDH1A1 | |
| SCHEMBL1046729 | 0.75 | PNMT (0.62) | PNMTTAAR1IDO1KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2351561-A2 | Novel methods and compositions for alleviating pain | Allergan, Inc. (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2007056078-A2 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | CYTOKINETICS, INC. (US) | 2007-05-18 | — | — | WO | disclosed |