Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 8/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 9/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | MT-CO1 | P00395 | 1/20 | 0.35 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5737051 | 0.83 | FFAR1 (0.45) | ACACB | |
| SCHEMBL6426280 | 0.74 | PTGS2 (0.41) | ACACBPTGS2AKR1C3AKR1C2 | |
| SCHEMBL6427160 | 0.73 | PTGS2 (0.41) | ACACBPTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL6427700 | 0.73 | PTGS2 (0.41) | PTGS2AKR1C3AKR1C2PTGS1MT-CO1 | |
| SCHEMBL7547932 | 0.70 | FFAR1 (0.41) | ACACB | |
| SCHEMBL458764 | 0.70 | AKR1C3 (0.64) | ACACBPTGS2AKR1C3AKR1C2 | |
| SCHEMBL6426325 | 0.70 | ACACB (0.38) | ACACBPTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL6426394 | 0.69 | PTGS2 (0.35) | ACACBPTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL6426393 | 0.67 | PTGS2 (0.36) | ACACBPTGS2AKR1C3AKR1C2PTGS1 | |
| SCHEMBL6426272 | 0.66 | PTGS2 (0.41) | ACACBPTGS2AKR1C3AKR1C2PTGS1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6855512-B2 | Methods for identifying inhibitors of cytochrome P450RAI | ALLERGAN, INC. (US) | 2005-02-15 | — | — | US | disclosed |
| US-6495552-B2 | TREATMENT OR PREVENTION OF THE DISEASES AND CONDITIONS WHICH RESPOND TO TREATMENT BY RETINOIDS AND OR WHICH IN HEALTHY MAMMALS, INCLUDING HUMANS, ARE CONTROLLED BY NATURAL RETINOIC ACID. | ALLERGAN, INC. | 2002-12-17 | — | — | US | disclosed |
| US-6369261-B1 | CYCLOPROPYLBENZENE DERIVATIVE OF ACIDS OR ESTERS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6369225-B1 | ENZYME INHIBITORS | ALLERGAN SALES, INC. | 2002-04-09 | — | — | US | disclosed |
| US-6303785-B1 | SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES | ALLERGAN SALES, INC. | 2001-10-16 | — | — | US | disclosed |