Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.70 |
| ▸ | PGR | P06401 | 5/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | FBP1 | P09467 | 1/20 | 0.46 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL29026484 | 0.89 | TSHR (0.80) | TSHRSMN1; SMN2PGRALDH1A1MEN1 | |
| SCHEMBL294451 | 0.86 | ALDH1A1 (0.59) | TSHRSMN1; SMN2PGRALDH1A1MEN1 | |
| SCHEMBL8477676 | 0.86 | ALDH1A1 (0.59) | TSHRSMN1; SMN2PGRALDH1A1MEN1 | |
| SCHEMBL29960292 | 0.86 | ALDH1A1 (0.59) | TSHRSMN1; SMN2PGRALDH1A1MEN1 | |
| SCHEMBL11330350 | 0.86 | TSHR (0.94) | TSHRSMN1; SMN2ALDH1A1HSD17B10TDP1 | |
| SCHEMBL6913146 | 0.84 | ALDH1A1 (0.57) | TSHRSMN1; SMN2PGRALDH1A1MEN1 | |
| SCHEMBL6914411 | 0.84 | ALDH1A1 (0.57) | TSHRSMN1; SMN2PGRALDH1A1MEN1 | |
| SCHEMBL6914642 | 0.84 | ALDH1A1 (0.57) | TSHRSMN1; SMN2PGRALDH1A1MEN1 | |
| SCHEMBL1759743 | 0.84 | TSHR (0.73) | TSHRSMN1; SMN2ALDH1A1MEN1KMT2A | |
| SCHEMBL6918604 | 0.84 | ALDH1A1 (0.57) | TSHRSMN1; SMN2PGRALDH1A1MEN1 |
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-108026230-A | Antifouling composition | 巴斯夫欧洲公司 | 2018-05-11 | — | — | CN | disclosed |
| CN-107922571-A | Antifouling composition | 巴斯夫欧洲公司 | 2018-04-17 | — | — | CN | disclosed |