Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 2/20 | 0.38 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.38 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13476626 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HTTHIF1ABRD4FOLH1 | |
| SCHEMBL791741 | 0.80 | VEGFA (0.50) | ALDH1A1HTTHIF1ABRD4FOLH1 | |
| SCHEMBL28209595 | 0.78 | ALDH1A1 (0.52) | ALDH1A1HTTNPSR1TDP1IDH1 | |
| SCHEMBL28216889 | 0.73 | ALDH1A1 (0.44) | ALDH1A1HTTLMNACYP3A4CYP2C9 | |
| SCHEMBL28216891 | 0.73 | ALDH1A1 (0.44) | ALDH1A1HTTLMNACYP3A4CYP2C9 | |
| SCHEMBL1182205 | 0.71 | SLC6A2 (0.51) | ALDH1A1HTTHIF1ABRD4FOLH1 | |
| SCHEMBL7827812 | 0.70 | ALDH1A1 (0.46) | ALDH1A1HTTLMNACYP3A4CYP2C9 | |
| SCHEMBL21088501 | 0.69 | KDM1A (0.40) | ALDH1A1HTTHIF1ABRD4FOLH1 | |
| SCHEMBL10896432 | 0.68 | TDP1 (0.52) | ALDH1A1HTTLMNACYP3A4CYP2C9 | |
| SCHEMBL28209533 | 0.68 | ALDH1A1 (0.47) | ALDH1A1HTTLMNACYP3A4CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108026052-A | 5-hydroxyalkyl benzimidazoles as mIDH1 inhibitors | 拜耳制药股份公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-107949557-A | 2 aryl and 2 aralkyl benzimidazoles as mIDH1 inhibitor | 拜耳制药股份公司 | 2018-04-20 | — | — | CN | disclosed |