Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 4/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | FPR2 | P25090 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CTSL | P07711 | 2/20 | 0.34 |
| ▸ | CTSB | P07858 | 2/20 | 0.34 |
| ▸ | CTSS | P25774 | 2/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 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 | |
|---|---|---|---|---|
| SCHEMBL9669321 | 0.78 | CYP1A2 (0.40) | MAOAPYCR1HTR2ACYP1A2ALDH1A1 | |
| SCHEMBL11389632 | 0.78 | TAAR1 (0.42) | HTR2AALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL28721293 | 0.77 | IDO1 (0.41) | MAOAALDH1A1 | |
| SCHEMBL1988560 | 0.74 | HTR2A (0.38) | HTR2ACYP1A2ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL16546600 | 0.72 | CTSK (0.38) | CTSKMAOAPYCR1HTR2AFPR2 | |
| SCHEMBL11901019 | 0.72 | CTSK (0.41) | CTSKPYCR1FPR2CYP1A2ALOX5 | |
| SCHEMBL1765182 | 0.71 | GCG (0.47) | CTSKFPR2ALDH1A1CTSLCTSB | |
| SCHEMBL28541578 | 0.69 | ALDH1A1 (0.46) | CYP1A2ALDH1A1CYP3A4HPGD | |
| SCHEMBL24849598 | 0.68 | SLC6A2 (0.37) | PYCR1CYP1A2ALDH1A1HSD17B10 | |
| SCHEMBL16424587 | 0.68 | CTSK (0.41) | CTSKPYCR1FPR2CYP1A2ALOX5 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5516904-A | SKIN AND IMMUNE DISORDERS; ANTIARTHRITIC AGENTS; WOUND HEALING AGENTS | ALLERGAN, INC. (US) | 1996-05-14 | — | — | US | disclosed |
| EP-0436398-B1 | Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity | ALLERGAN INC (US) | 1996-01-31 | — | — | EP | disclosed |
| US-5414007-A | Skin disorders | ALLERGAN, INC. (US) | 1995-05-09 | — | — | US | disclosed |
| US-5349105-A | Skin disorder | ALLERGAN, INC. (US) | 1994-09-20 | — | — | US | disclosed |
| US-5264456-A | Skin disorders, anticarcinogenic agents, antiarthritic agents, immunology or wound healing agents | ALLERGAN, INC. (US) | 1993-11-23 | — | — | US | disclosed |
| US-5202471-A | Skin disorders | ALLERGAN, INC. (US) | 1993-04-13 | — | — | US | disclosed |
| US-5175185-A | Antiacne agents | ALLERGAN, INC. (US) | 1992-12-29 | — | — | US | disclosed |
| EP-0436398-A1 | Acetylenes disubstituted with a heteroaromatic group and a substituted phenyl group having retinoid like activity | ALLERGAN, INC. (US) | 1991-07-10 | — | — | EP | disclosed |
| US-5013744-A | Skin disorders | ALLERGAN, INC. (US) | 1991-05-07 | — | — | US | disclosed |