Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.46 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7217591 | 0.90 | CYP2A6 (0.47) | CYP2A6TDP1PTGS1PTGS2NQO2 | |
| SCHEMBL7217583 | 0.90 | CYP2A6 (0.47) | CYP2A6TDP1PTGS1PTGS2NQO2 | |
| SCHEMBL9806282 | 0.88 | CYP1B1 (0.51) | TDP1PTGS1PTGS2NQO2ESR1 | |
| SCHEMBL9806279 | 0.88 | CYP1B1 (0.51) | TDP1PTGS1PTGS2NQO2ESR1 | |
| SCHEMBL18790028 | 0.80 | ESR1 (0.68) | CYP2A6TDP1PTGS1PTGS2NQO2 | |
| SCHEMBL6546605 | 0.80 | ESR1 (0.68) | CYP2A6TDP1PTGS1PTGS2NQO2 | |
| SCHEMBL4602278 | 0.78 | MAPT (0.59) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL6547576 | 0.78 | ESR1 (0.55) | PTGS1PTGS2NQO2ESR1ESR2 | |
| SCHEMBL7570852 | 0.76 | CES2 (0.54) | TDP1CES2CES1MAPTKDM4E | |
| SCHEMBL28539564 | 0.76 | CES2 (0.54) | TDP1CES2CES1MAPTKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6627652-B1 | Treatment of diseases or conditions of the type which are normally treated with retinoid-like compounds is disclosed, with pharmaceutical compositions containing an active compound which is a selective agonist of the RXR retinoid | ALLERGAN, INC. | 2003-09-30 | — | — | US | disclosed |
| US-6624188-B1 | Administered to treat or prevent one or more of the diseases and conditions selected from the group consisting of dermatoses, atherosclerosis and restenosis resulting from neointimal hyperproliferation, non-malignant and | ALLERGAN, INC. | 2003-09-23 | — | — | US | disclosed |
| US-5455265-A | For mammals; skin disorders, cancer, inflammatory disease, cardiovascular diorders, autoimmune diseases and others | ALLERGAN, INC. (US) | 1995-10-03 | — | — | US | disclosed |
| US-5324840-A | Skin disorders | ALLERGAN, INC. (US) | 1994-06-28 | — | — | US | disclosed |