Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27790908 | 0.87 | SLC6A4 (0.38) | SIGMAR1DRD4TMEM97SLC6A2SLC6A4 | |
| SCHEMBL9064997 | 0.79 | IDO1 (0.50) | CYP1A2CYP2A6TAAR1IDO1ACHE | |
| SCHEMBL22148972 | 0.79 | ESR1 (0.47) | SIGMAR1DRD4TMEM97NFE2L2SLC6A2 | |
| SCHEMBL2370050 | 0.79 | DAO (0.45) | SLC6A2SLC6A4SLC6A3DAOMMP13 | |
| SCHEMBL7687745 | 0.79 | SLC6A2 (0.41) | SIGMAR1DRD4TMEM97SLC6A2SLC6A4 | |
| SCHEMBL27769496 | 0.78 | MMP13 (0.39) | SLC6A2SLC6A4SLC6A3DAOMMP13 | |
| SCHEMBL27769498 | 0.76 | MMP13 (0.35) | SLC6A2SLC6A4SLC6A3DAOMMP13 | |
| SCHEMBL27790940 | 0.75 | MMP13 (0.36) | SLC6A2SLC6A4SLC6A3DAOMMP13 | |
| SCHEMBL2090687 | 0.74 | SLC6A2 (0.47) | SIGMAR1DRD4TMEM97SLC6A2SLC6A4 | |
| SCHEMBL27769481 | 0.74 | PPARD (0.39) | DAOMMP13PTGS1PTGS2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101627007-A | Aminoamides as orexin antagonists | HOFFMANN LA ROCHE | 2010-01-13 | — | — | CN | claimed |
| CN-101627007-A | Aminoamides as orexin antagonists | HOFFMANN LA ROCHE | 2010-01-13 | — | — | CN | disclosed |