Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 3/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | AGXT | P21549 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4871516 | 0.89 | TAAR1 (0.53) | TAAR1EGFRERBB2IDO1AGXT | |
| SCHEMBL8877206 | 0.81 | HTR3E (0.53) | TAAR1MEN1KMT2A | |
| SCHEMBL10296023 | 0.80 | TAAR1 (0.48) | TAAR1EGFRERBB2IDO1AGXT | |
| SCHEMBL10743928 | 0.79 | MGLL (0.43) | MGLLCA2 | |
| SCHEMBL1607255 | 0.79 | MAOA (0.52) | MGLLCA12CA1CA2CA9 | |
| SCHEMBL23654200 | 0.79 | TAAR1 (0.50) | TAAR1MGLLMEN1KMT2A | |
| SCHEMBL5240585 | 0.79 | TAAR1 (0.68) | TAAR1IDO1AGXT | |
| SCHEMBL3140888 | 0.78 | TAAR1 (0.43) | TAAR1MGLLEGFRERBB2CA12 | |
| SCHEMBL2935743 | 0.78 | TAAR1 (0.47) | TAAR1EGFRERBB2IDO1AGXT | |
| Hydrochloric Acid SCHEMBL27989720 | 0.78 | IDO1 (0.48) | TAAR1EGFRERBB2IDO1AGXT |
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-110506044-B | BRD4 inhibitor and preparation and application thereof | 中国科学院上海药物研究所 | 2022-07-05 | — | — | CN | disclosed |
| CN-110506044-A | A kind of BRD4 inhibitor and its preparation and application | SHANGHAI INST MATERIA MEDICA CAS | 2019-11-26 | — | — | CN | disclosed |