Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 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 | |
|---|---|---|---|---|
| SCHEMBL3347622 | 0.82 | FFAR1 (0.40) | ALDH1A1TSHRKDM4EMEN1CYP1A2 | |
| SCHEMBL3839029 | 0.80 | KDM4E (0.49) | ALDH1A1TSHRKDM4EMEN1CYP1A2 | |
| SCHEMBL17940722 | 0.77 | KDM4E (0.36) | ALDH1A1TSHRKDM4EMEN1CYP1A2 | |
| SCHEMBL26259528 | 0.74 | ALDH1A1 (0.32) | ALDH1A1TSHRKDM4EMEN1CYP1A2 | |
| SCHEMBL10535351 | 0.74 | TSHR (0.45) | ALDH1A1TSHRKDM4EMEN1CYP1A2 | |
| SCHEMBL563737 | 0.73 | NPC1 (0.50) | ALDH1A1TSHRKDM4EMEN1CYP1A2 | |
| SCHEMBL26259658 | 0.73 | KDM4E (0.31) | ALDH1A1TSHRKDM4EMEN1CYP1A2 | |
| SCHEMBL31349196 | 0.72 | TSHR (0.48) | ALDH1A1TSHRKDM4EMEN1CYP1A2 | |
| SCHEMBL1324387 | 0.72 | TSHR (0.48) | ALDH1A1TSHRKDM4EMEN1CYP1A2 | |
| SCHEMBL26259915 | 0.72 | — | — |
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 |