Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.57 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5324567 | 0.85 | TSHR (0.50) | CASP1ALDH1A1TSHRMEN1KMT2A | |
| SCHEMBL11003080 | 0.84 | TDP1 (0.45) | CASP1PIN1TSHRMEN1KMT2A | |
| SCHEMBL5861445 | 0.84 | CASP1 (0.59) | CASP1PIN1ALDH1A1TSHRMEN1 | |
| SCHEMBL10708969 | 0.83 | CASP1 (0.57) | CASP1PIN1ALDH1A1TSHRMEN1 | |
| SCHEMBL4632797 | 0.83 | CASP1 (0.70) | CASP1PIN1ALDH1A1TSHRMEN1 | |
| SCHEMBL4632799 | 0.83 | CASP1 (0.70) | CASP1PIN1ALDH1A1TSHRMEN1 | |
| SCHEMBL3697021 | 0.82 | CASP1 (0.45) | CASP1ALDH1A1KMT2ACYP2C19 | |
| SCHEMBL5252341 | 0.81 | PIN1 (0.42) | CASP1PIN1ALDH1A1TSHRMEN1 | |
| SCHEMBL5327049 | 0.81 | CASP1 (0.56) | CASP1PIN1ALDH1A1TSHRMEN1 | |
| SCHEMBL11833412 | 0.81 | CYP1A2 (0.45) | CASP1PIN1MEN1KMT2ARAB9A |
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-103387490-B | A kind of method of toluene carboxylation to synthesize phenylacetic acid | LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) | 2015-08-26 | — | — | CN | disclosed |
| WO-2007126258-A1 | THE METHOD OF MAKING OPTICALLY ACTIVE 2-HALO-2-(N-SUBSTITUTED PHENYL)ACETIC ACID ESTERS AND 2-HALO-2-(N-SUBSTITUTED PHENYL)ACETIC ACIDS BY ENZYMATIC METHOD | ENZYTECH, LTD (KR) | 2007-11-08 | — | — | WO | disclosed |
| US-5556854-A | CARDIOVASCULAR DISORDERS AND/OR NEUROGENERATIVE DISORDERS | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-09-17 | — | — | US | disclosed |