Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4678425 | 0.73 | ALDH1A1 (0.43) | ALDH1A1HTTNPSR1TSHRTDP1 | |
| SCHEMBL9795607 | 0.67 | ALDH1A1 (0.52) | ALDH1A1TDP1NPC1RAB9AMAPK1 | |
| SCHEMBL4698042 | 0.67 | NPSR1 (0.36) | ALDH1A1HTTNPSR1TDP1ACHE | |
| SCHEMBL4702612 | 0.64 | ALDH1A1 (0.38) | ALDH1A1HTTTDP1ACHENPC1 | |
| SCHEMBL10771394 | 0.62 | TSHR (0.51) | NPSR1TSHRMAPKAPK2 | |
| SCHEMBL1287837 | 0.62 | ALDH1A1 (0.74) | ALDH1A1TSHRTDP1CYP1A2CYP3A4 | |
| SCHEMBL30535903 | 0.62 | ALDH1A1 (0.74) | ALDH1A1TSHRTDP1CYP1A2CYP3A4 | |
| Bicarbonate SCHEMBL27502524 | 0.62 | ALDH1A1 (0.88) | ALDH1A1HTTNPSR1TSHRTDP1 | |
| SCHEMBL8993582 | 0.61 | ALDH1A1 (0.61) | ALDH1A1TSHRTDP1CYP1A2CYP3A4 | |
| SCHEMBL15876217 | 0.61 | SLC6A3 (0.60) | ALDH1A1TSHRTDP1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1416933-B1 | SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR | AMGEM INC (US) | 2008-01-02 | — | — | EP | disclosed |