Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1018673 | 0.97 | TAAR1 (0.50) | TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6 | |
| Bromide SCHEMBL11029879 | 0.97 | TAAR1 (0.50) | TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6 | |
| SCHEMBL28596017 | 0.82 | TAAR1 (0.63) | TAAR1SMN1; SMN2CYP1A2LMNAGAA | |
| Hydrochloric Acid SCHEMBL14719130 | 0.80 | TAAR1 (0.61) | TAAR1SMN1; SMN2CYP1A2LMNAGAA | |
| Bromide SCHEMBL11030447 | 0.80 | TAAR1 (0.61) | TAAR1SMN1; SMN2CYP1A2LMNAGAA | |
| SCHEMBL673238 | 0.78 | TAAR1 (0.70) | TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6 | |
| SCHEMBL3333154 | 0.78 | TAAR1 (0.55) | TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6 | |
| SCHEMBL1007397 | 0.75 | TAAR1 (0.52) | TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6 | |
| SCHEMBL1547640 | 0.73 | TAAR1 (0.50) | TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6 | |
| SCHEMBL8223558 | 0.73 | TAAR1 (0.50) | TAAR1AKR1B1SMN1; SMN2CYP1A2CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103951614-A | Pyridyl derivatives as CFTR modulators | VERTEX PHARMA | 2014-07-30 | — | — | CN | disclosed |