Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | P4HA1 | P13674 | 2/20 | 0.48 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.48 |
| ▸ | MIF | P14174 | 1/20 | 0.47 |
| ▸ | HCAR3 | P49019 | 8/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 1/20 | 0.46 |
| ▸ | RXRG | P48443 | 1/20 | 0.46 |
| ▸ | GABRP | O00591 | 1/20 | 0.46 |
| ▸ | GABRD | O14764 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL46646 | 0.93 | ALDH1A1 (0.71) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL2654849 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL13539393 | 0.79 | ALDH1A1 (0.79) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL1091823 | 0.78 | HPGD (0.50) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL30003144 | 0.78 | HPGD (0.50) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL147705 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL3680735 | 0.77 | ALDH1A1 (0.77) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL29693605 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL1713396 | 0.77 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 | |
| SCHEMBL18930988 | 0.77 | NNMT (0.55) | ALDH1A1CYP1A2CYP2C9HPGDCYP2C19 |
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-8012998-B2 | Pyrrolidine aryl-ether as NK-3 receptor antagonists | Hoffmann—La Roche Inc. (US) | 2011-09-06 | — | — | US | disclosed |
| EP-2185540-B1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2011-07-20 | — | — | EP | disclosed |
| EP-2185540-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2010-05-19 | — | — | EP | disclosed |
| WO-2009019163-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | WO | disclosed |
| US-20090042896-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-02-12 | — | — | 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-20090042896-A1 | PYRROLIDINE ARYL-ETHER AS NK3 RECEPTOR ANTAGONISTS | OPRL1, OPRK1, OPRD1 | ALDH1A1 639/4885CYP1A2 550/4885CYP2C9 1225/4885 |
“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.