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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | MMP1 | P03956 | 3/20 | 0.46 |
| ▸ | MMP7 | P09237 | 3/20 | 0.46 |
| ▸ | MMP12 | P39900 | 3/20 | 0.46 |
| ▸ | MMP13 | P45452 | 3/20 | 0.46 |
| ▸ | ACE | P12821 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28823866 | 0.94 | ALDH1A1 (0.55) | SMN1; SMN2TSHRMMP1MMP7MMP12 | |
| SCHEMBL11083305 | 0.90 | SMN1; SMN2 (0.55) | SMN1; SMN2TSHRMMP1MMP7MMP12 | |
| SCHEMBL16046245 | 0.87 | SMN1; SMN2 (0.52) | SMN1; SMN2TSHRMMP1MMP7MMP12 | |
| SCHEMBL2057752 | 0.84 | SMN1; SMN2 (0.48) | SMN1; SMN2TSHRMMP1MMP7MMP12 | |
| SCHEMBL10535613 | 0.83 | ALDH1A1 (0.53) | SMN1; SMN2TSHRMMP1MMP7MMP12 | |
| Hexane SCHEMBL27501792 | 0.82 | TSHR (0.70) | SMN1; SMN2TSHRMMP1MMP7MMP12 | |
| Butyl Alcohol SCHEMBL28041245 | 0.81 | TSHR (0.61) | SMN1; SMN2TSHRMMP1MMP7MMP12 | |
| Octane SCHEMBL8591856 | 0.81 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRALDH1A1TDP1LMNA | |
| Decane SCHEMBL3917036 | 0.81 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRALDH1A1TDP1LMNA | |
| SCHEMBL29109146 | 0.81 | SMN1; SMN2 (0.67) | SMN1; SMN2TSHRALDH1A1TDP1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4444766-A | ANTITUMOR | BOEHRINGER MANNHEIM GMBH (DE) | 1984-04-24 | — | — | US | disclosed |