Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | HTT | P42858 | 7/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.50 |
| ▸ | GPR3 | P46089 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1792194 | 0.79 | ALDH1A1 (0.62) | ALDH1A1LMNACYP1A2CYP2C19POLB | |
| SCHEMBL30534146 | 0.79 | ALDH1A1 (0.62) | ALDH1A1LMNACYP1A2CYP2C19POLB | |
| SCHEMBL26631812 | 0.78 | ALDH1A1 (0.60) | ALDH1A1LMNACYP1A2CYP2C19POLB | |
| SCHEMBL14519065 | 0.78 | ALDH1A1 (0.60) | ALDH1A1LMNACYP1A2CYP2C19POLB | |
| SCHEMBL1092518 | 0.78 | ALDH1A1 (0.60) | ALDH1A1LMNACYP1A2CYP2C19POLB | |
| SCHEMBL29374992 | 0.78 | ALDH1A1 (0.60) | ALDH1A1LMNACYP1A2CYP2C19POLB | |
| SCHEMBL671977 | 0.77 | POLB (0.44) | ALDH1A1LMNACYP1A2CYP2C19POLB | |
| SCHEMBL22443301 | 0.75 | L3MBTL1 (0.52) | ALDH1A1LMNACYP1A2CYP2C19POLB | |
| SCHEMBL1429358 | 0.75 | ALDH1A1 (1.00) | ALDH1A1LMNACYP1A2CYP2C19POLB | |
| SCHEMBL25708943 | 0.75 | POLB (0.48) | ALDH1A1LMNACYP1A2CYP2C19POLB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109912576-A | Cyclic annular or loop coil Diamines pyrimidine-hydroxamic acid and application thereof | 华东理工大学 | 2019-06-21 | — | — | CN | disclosed |
| CN-104610355-B | Indole framework based center chirality sulfonamides monophosphine ligand and preparation method | 华东师范大学 | 2017-01-11 | — | — | CN | disclosed |
| US-5556874-A | ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS | WARNER LAMBERT COMPANY (US) | 1996-09-17 | — | — | US | disclosed |
| US-5464861-A | Anticarcinogenic agents | WARNER-LAMBERT (US) | 1995-11-07 | — | — | US | disclosed |
| EP-0654024-A1 | 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES | WARNER-LAMBERT COMPANY (US) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003427-A1 | 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES | WARNER-LAMBERT COMPANY (US) | 1994-02-17 | — | — | WO | disclosed |