Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CXCR1 | P25024 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL247044 | 0.81 | MAPK1 (0.61) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL9671972 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL1716854 | 0.77 | ALDH1A1 (0.42) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL28150049 | 0.77 | CA12 (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| Formic Acid SCHEMBL1713397 | 0.77 | ALDH1A1 (0.62) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL46646 | 0.75 | ALDH1A1 (0.71) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL30003144 | 0.75 | HPGD (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL1091823 | 0.75 | HPGD (0.50) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL18930988 | 0.74 | NNMT (0.55) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD | |
| SCHEMBL2654849 | 0.73 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2C9CYP2C19HPGD |
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.