Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | PGK1 | P00558 | 1/20 | 0.35 |
| ▸ | PGK2 | P07205 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 2/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23458084 | 0.79 | TAAR1 (0.48) | TAAR1SLC6A2HTR2ASLC6A4HRH1 | |
| SCHEMBL563683 | 0.77 | SLC6A2 (0.54) | ALDH1A1TSHRPGK1PGK2TAAR1 | |
| SCHEMBL8621821 | 0.74 | CYP19A1 (0.47) | ALDH1A1TSHRTAAR1GRIN2BCYP1A2 | |
| SCHEMBL28175137 | 0.73 | SLC6A2 (0.39) | ALDH1A1TSHRTAAR1SLC6A2SLC6A4 | |
| SCHEMBL3641436 | 0.71 | HTR2A (0.56) | ALDH1A1HTR2AHTR2B | |
| SCHEMBL43251 | 0.71 | ALDH1A1 (0.47) | ALDH1A1TSHRPGK1PGK2TAAR1 | |
| Hydrochloric Acid SCHEMBL7893804 | 0.69 | ALDH1A1 (0.45) | ALDH1A1TSHRPGK1PGK2TAAR1 | |
| SCHEMBL16673269 | 0.69 | ESR1 (0.44) | ALDH1A1TSHRPGK1PGK2TAAR1 | |
| SCHEMBL28323445 | 0.68 | ALDH1A1 (0.39) | ALDH1A1TSHRPGK1PGK2TAAR1 | |
| SCHEMBL29342 | 0.68 | TAAR1 (0.56) | TAAR1SLC6A2MAOAHTR2ACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5730998-A | Use of a substance P antagonist for the treatment of pruritus, ocular and/or palpebral pain and ocular or palpebral dysaesthesia | SOCIETE L'OREAL S.A. (FR) | 1998-03-24 | — | — | US | disclosed |
| US-5679360-A | TOPICAL APPLICATION | L'OREAL (FR) | 1997-10-21 | — | — | US | disclosed |