Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 10/20 | 0.45 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | MDM4 | O15151 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21118898 | 0.84 | ALDH1A1 (0.51) | SLC6A4TP53POLBHPGDCYP2D6 | |
| SCHEMBL21118529 | 0.81 | SLC6A4 (0.59) | SLC6A4TP53CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL20917044 | 0.79 | CACNA2D1 (0.51) | KCNK3KCNK9NR1H4SLC6A2KMT2A | |
| SCHEMBL21118580 | 0.77 | SLC6A4 (0.48) | SLC6A4TP53CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL21118532 | 0.72 | MAPT (0.58) | SLC6A4TP53CYP2D6CYP1A2CYP3A4 | |
| SCHEMBL1715765 | 0.71 | HDAC3 (0.56) | KCNK3KCNK9BACE1NR1H4TP53 | |
| SCHEMBL528445 | 0.70 | KCNK3 (0.77) | KCNK3KCNK9NR1H4TP53MDM4 | |
| SCHEMBL3816268 | 0.70 | NPC1 (0.61) | KCNK3KCNK9BACE1NR1H4TP53 | |
| SCHEMBL20917272 | 0.70 | SLC6A4 (0.61) | SLC6A4KCNK3KCNK9CYP2D6SLC6A2 | |
| SCHEMBL30438569 | 0.70 | SLC6A4 (0.61) | SLC6A4KCNK3KCNK9CYP2D6SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019110137-A1 | O-PHENOXY AND O-BENZYLOXYPROPYLAMINO DERIVATIVES HAVING ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2019-06-13 | — | — | WO | disclosed |