Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 5/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
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 | 1.00 | CYP2A6 (0.47) | CYP2A6TDP1ESR1ESR2NQO2 | |
| SCHEMBL7217586 | 0.90 | CYP2A6 (0.47) | CYP2A6TDP1ESR1ESR2NQO2 | |
| SCHEMBL28633606 | 0.82 | CYP2A6 (0.46) | CYP2A6TDP1NPC1RAB9AKDM4E | |
| SCHEMBL28633610 | 0.82 | CYP2A6 (0.46) | CYP2A6TDP1NPC1RAB9AKDM4E | |
| SCHEMBL28641298 | 0.82 | CYP2A6 (0.46) | CYP2A6TDP1NPC1RAB9AKDM4E | |
| SCHEMBL25910341 | 0.80 | PTGS1 (0.49) | ESR1ESR2NQO2NPC1RAB9A | |
| SCHEMBL18790028 | 0.80 | ESR1 (0.68) | CYP2A6TDP1ESR1ESR2NQO2 | |
| SCHEMBL6546605 | 0.80 | ESR1 (0.68) | CYP2A6TDP1ESR1ESR2NQO2 | |
| SCHEMBL4602278 | 0.78 | MAPT (0.59) | ESR1ESR2NQO2NPC1RAB9A | |
| SCHEMBL6547576 | 0.78 | ESR1 (0.55) | ESR1ESR2NQO2NPC1RAB9A |
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 |