Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 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 | |
|---|---|---|---|---|
| SCHEMBL9765061 | 0.89 | NPC1 (0.36) | CTNNB1WNT3ANPC1RAB9ATP53 | |
| SCHEMBL181636 | 0.78 | GPR84 (0.34) | SMN1; SMN2GRM4 | |
| SCHEMBL8659339 | 0.78 | NPC1 (0.36) | CTNNB1NPC1RAB9AALDH1A1TP53 | |
| SCHEMBL9817872 | 0.76 | ACACB (0.45) | NPC1RAB9AALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL20636815 | 0.75 | RARA (0.36) | NPC1RAB9AALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL8681448 | 0.75 | NPC1 (0.39) | NPC1RAB9ATSHRCYP3A4 | |
| SCHEMBL9817651 | 0.75 | RARB (0.53) | CYP3A4 | |
| SCHEMBL8565252 | 0.74 | KMT2A (0.45) | NPC1RAB9AALDH1A1TP53SMN1; SMN2 | |
| SCHEMBL20636875 | 0.74 | RARB (0.40) | KMT2ACYP3A4 | |
| SCHEMBL7566669 | 0.74 | RARA (0.35) | NPC1RAB9AALDH1A1TP53SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5914334-A | A GEL FOR TOPICAL TREATMENT OF BOTH ACNE AND PSORIASIS COMPRISES ETHYL-6(2-(4,4-DIMETHYLTHIOCHROMAN-6-YL)-ETHYNYL) NICOTINATE IN A CARRIER SUCH AS: WATER, EDETATE DISODIUM, POLOXOMERS, HEXYLENE GLYCOL, TROMETHANE, POLYSORBATES ETC. | ALLERGAN, INC. (US) | 1999-06-22 | — | — | US | claimed |
| US-5824685-A | VISION DEFECTS AND GENE EXPRESSION | THE JOHNS HOPKINS UNIVERSITY SCHOOL OF MEDICINE (US) | 1998-10-20 | — | — | US | claimed |
| US-5914334-A | A GEL FOR TOPICAL TREATMENT OF BOTH ACNE AND PSORIASIS COMPRISES ETHYL-6(2-(4,4-DIMETHYLTHIOCHROMAN-6-YL)-ETHYNYL) NICOTINATE IN A CARRIER SUCH AS: WATER, EDETATE DISODIUM, POLOXOMERS, HEXYLENE GLYCOL, TROMETHANE, POLYSORBATES ETC. | ALLERGAN, INC. (US) | 1999-06-22 | — | — | US | disclosed |