Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 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 | |
|---|---|---|---|---|
| SCHEMBL1108477 | 0.90 | TAAR1 (0.50) | TAAR1HRH3CALM1HPGDTSHR | |
| Hydrochloric Acid SCHEMBL27287864 | 0.88 | TAAR1 (0.48) | TAAR1HRH3CALM1HPGDTSHR | |
| Biphenyl SCHEMBL27518037 | 0.84 | HRH3 (0.46) | TAAR1HRH3CALM1HPGDTSHR | |
| SCHEMBL29087090 | 0.80 | TAAR1 (0.40) | TAAR1HRH3CALM1 | |
| Pyridine SCHEMBL28133711 | 0.79 | HRH3 (0.50) | TAAR1HRH3CALM1HPGDTSHR | |
| SCHEMBL27647887 | 0.78 | TAAR1 (0.43) | IDO1TAAR1HRH3TSHR | |
| Pyridine SCHEMBL28192678 | 0.78 | HRH3 (0.49) | TAAR1HRH3CALM1HPGDTSHR | |
| Benzene SCHEMBL28241649 | 0.76 | MAOA (0.45) | TSHRMAOA | |
| SCHEMBL23528212 | 0.76 | DAO (0.44) | IDO1TAAR1MAOA | |
| SCHEMBL1856737 | 0.76 | TP53 (0.41) | TAAR1HRH3MAOA |
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-108529586-A | A kind of graphene-based nano carbon microsphere and its preparation method and application | 中国科学院过程工程研究所 | 2018-09-14 | — | — | CN | disclosed |