Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7797112 | 1.00 | CYP2C19 (0.43) | CYP2C19HIF1ACYP3A4CYP1A2TDP1 | |
| SCHEMBL6647551 | 0.84 | CYP2C19 (0.56) | CYP2C19HIF1ACYP1A2 | |
| SCHEMBL6464415 | 0.84 | CYP2C19 (0.56) | CYP2C19HIF1ACYP1A2 | |
| SCHEMBL27823794 | 0.84 | CYP2C19 (0.56) | CYP2C19HIF1ACYP1A2 | |
| SCHEMBL27578930 | 0.82 | CYP2C19 (0.36) | CYP2C19HIF1ACYP1A2 | |
| SCHEMBL27558660 | 0.82 | CYP2C19 (0.36) | CYP2C19HIF1ACYP1A2 | |
| SCHEMBL7234332 | 0.80 | LMNA (0.49) | CYP3A4CYP1A2TDP1LMNACYP11B1 | |
| SCHEMBL17047076 | 0.79 | CYP1A2 (0.50) | CYP2C19HIF1ACYP3A4CYP1A2TDP1 | |
| SCHEMBL15042204 | 0.79 | CYP1A2 (0.50) | CYP2C19HIF1ACYP3A4CYP1A2TDP1 | |
| SCHEMBL27578829 | 0.78 | KDM4E (0.38) | CYP2C19HIF1ACYP3A4CYP1A2RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1362948-A | Preparation method of 3S-3-amino-3-aryl propionic acid and derivatives thereof | ORTHO MCNEIL PHARM INC (US) | 2002-08-07 | — | — | CN | disclosed |
| EP-1163222-A1 | PROCESS OF PREPARING 3S-3-AMINO-3-ARYL PROPIONIC ACID AND DERIVATIVES THEREOF | Ortho-Mcneil Pharmaceutical, Inc. (US) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000056715-A1 | PROCESS OF PREPARING 3S-3-AMINO-3-ARYL PROPIONIC ACID AND DERIVATIVES THEREOF | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-09-28 | — | — | WO | disclosed |