Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 3/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.39 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.39 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | ALB | P02768 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6425926 | 0.85 | ACACB (0.42) | ACACBFFAR1PTGS2PTGS1LMNA | |
| SCHEMBL6425907 | 0.84 | ACACB (0.41) | ACACBFFAR1PTGS2PTGS1LMNA | |
| SCHEMBL5735140 | 0.82 | NR4A1 (0.49) | OPRM1OPRD1OPRK1OPRL1RARB | |
| SCHEMBL6426272 | 0.81 | PTGS2 (0.41) | OPRM1OPRD1OPRK1OPRL1ACACB | |
| SCHEMBL5735811 | 0.81 | FFAR1 (0.57) | OPRM1OPRD1OPRK1OPRL1FFAR1 | |
| SCHEMBL6426243 | 0.80 | PTGS2 (0.40) | ACACBFFAR1PTGS2PTGS1LMNA | |
| SCHEMBL5735742 | 0.78 | SMN1; SMN2 (0.50) | LMNACYP2C9ESR1 | |
| SCHEMBL7987895 | 0.76 | HNF4A (0.38) | OPRM1OPRD1OPRK1OPRL1ACACB | |
| SCHEMBL5737330 | 0.75 | OPRM1 (0.44) | OPRM1OPRD1OPRK1OPRL1ALOX5 | |
| SCHEMBL7595292 | 0.75 | FFAR1 (0.36) | OPRM1OPRD1OPRK1OPRL1FFAR1 |
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-20030186947-A1 | Compounds having activity as inhibitors of cytochrome P450RAI | ALLERGAN, INC. | 2003-10-02 | — | — | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030186947-A1 | Compounds having activity as inhibitors of cytochrome P450RAI | RARA, RARB, RARG | OPRM1 3053/4885OPRD1 2646/4885OPRK1 2953/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.