Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.46 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.46 |
| ▸ | CNR2 | P34972 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29471221 | 0.84 | ALDH1A1 (0.47) | ALDH1A1CYP19A1TSHRLMNAHTT | |
| SCHEMBL29029080 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP19A1TSHRLMNAHTT | |
| SCHEMBL29029071 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP19A1TSHRLMNAHTT | |
| SCHEMBL29029090 | 0.81 | TSHR (0.49) | ALDH1A1CYP19A1TSHRLMNAHTT | |
| SCHEMBL26547989 | 0.79 | KDM4E (0.60) | ALDH1A1CYP19A1TSHRLMNAHTT | |
| SCHEMBL30480910 | 0.78 | ALDH3A1 (0.60) | ALDH1A1CYP19A1TSHRLMNAHTT | |
| SCHEMBL4911967 | 0.74 | ALDH1A1 (0.70) | ALDH1A1CYP19A1TSHRLMNAHTT | |
| SCHEMBL28156680 | 0.74 | MEN1 (0.71) | ALDH1A1CYP19A1TSHRPOLBRECQL | |
| SCHEMBL11637929 | 0.73 | NPC1 (0.59) | ALDH1A1CYP19A1TSHRLMNAHTT | |
| SCHEMBL15660010 | 0.73 | MAPT (0.54) | ALDH1A1CYP19A1TSHRLMNACNR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116368128-A | Heterocyclic compounds as CBP/EP300 bromodomain inhibitors | 奥瑞基尼肿瘤有限公司 | 2023-06-30 | — | — | CN | disclosed |