Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 13/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 11/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.41 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL6427160 | 0.89 | PTGS2 (0.41) | PTGS2PTGS1AKR1C3AKR1C2LMNA | |
| SCHEMBL5735361 | 0.83 | ACACB (0.46) | RARB | |
| SCHEMBL5737348 | 0.81 | FFAR1 (0.53) | FFAR1 | |
| SCHEMBL6426325 | 0.80 | ACACB (0.38) | PTGS2PTGS1AKR1C3AKR1C2LMNA | |
| SCHEMBL6426393 | 0.79 | PTGS2 (0.36) | PTGS2PTGS1AKR1C3AKR1C2LMNA | |
| SCHEMBL6427797 | 0.78 | TBXAS1 (0.41) | LMNA | |
| SCHEMBL6426280 | 0.73 | PTGS2 (0.41) | PTGS2AKR1C3AKR1C2RARB | |
| SCHEMBL6426327 | 0.73 | ACACB (0.40) | PTGS2PTGS1AKR1C3AKR1C2MT-CO1 | |
| SCHEMBL458764 | 0.73 | AKR1C3 (0.64) | PTGS2AKR1C3AKR1C2 | |
| SCHEMBL5737831 | 0.72 | ACE2 (0.55) | RARB |
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-6855512-B2 | Methods for identifying inhibitors of cytochrome P450RAI | ALLERGAN, INC. (US) | 2005-02-15 | — | — | 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 |