Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.70 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.70 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.70 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.70 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.70 |
| ▸ | RARG | P13631 | 1/20 | 0.70 |
| ▸ | CNR1 | P21554 | 1/20 | 0.70 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.70 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.70 |
| ▸ | PPARA | Q07869 | 1/20 | 0.70 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.70 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.70 |
| ▸ | MME | P08473 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7105553 | 1.00 | CYP1A2 (0.70) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL825744 | 0.88 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9096963 | 0.88 | MME (0.70) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9997257 | 0.88 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7694738 | 0.88 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7107227 | 0.88 | CYP1A2 (0.68) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10690632 | 0.85 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10692802 | 0.84 | CYP1A2 (0.64) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10692742 | 0.83 | CYP1A2 (0.66) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL10038975 | 0.82 | CYP1A2 (0.75) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011161646-A2 | PROCESS FOR THE PREPARATION OF ALVIMOPAN OR ITS PHARMACEUTICALLY ACCEPTABLE SALT OR SOLVATE THEREOF | RANBAXY LABORATORIES LIMITED (IN) | 2011-12-29 | — | — | WO | disclosed |
| EP-0937710-B1 | Method for producing an optically active phenylpropionic acid derivative | AJINOMOTO KK (JP) | 2003-04-16 | — | — | EP | disclosed |
| US-6339170-B2 | CONDENSATION OF 2-HYDROXYMETHYL-3-PHENYLPROPIONIC ACID AND GLYCINE BENZYL ESTER, CONVERSION OF HYDROXYL GROUP TO ELIMINATION GROUP, SUBSTITUTION BY ACETYLTHIO GROUP; ENKEPHALIN AND ACETYLCHOLINESTERASE INHIBITORS | AJINOMOTO CO., INC. (JP) | 2002-01-15 | — | — | US | disclosed |
| US-20010014754-A1 | Method for producing optically active phenylpropionic acid derivative | AJINOMOTO CO., INC. (JP) | 2001-08-16 | — | — | US | disclosed |
| US-6239305-B1 | REACTING A N-ACYLAMINO ACID ESTER WITH A THIOACETIC ACID | AJINOMOTO CO., INC. (JP) | 2001-05-29 | — | — | US | disclosed |
| US-6031121-A | Method for producing optically active phenylpropionic acid derivative | AJINOMOTO CO., INC. (JP) | 2000-02-29 | — | — | US | disclosed |
| EP-0937710-A1 | Method for producing an optically active phenylpropionic acid derivative | Ajinomoto Co., Inc. (JP) | 1999-08-25 | — | — | EP | 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-20010014754-A1 | Method for producing optically active phenylpropionic acid derivative | ACE, DNPEP, AGT | CYP1A2 2042/4885CYP3A4 902/4885CYP2D6 1073/4885 |
“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.