Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9540978 | 1.00 | MAPK1 (0.43) | MAPK1HSD17B10HPGDTSHRALDH1A1 | |
| SCHEMBL7276014 | 0.83 | STING1 (0.42) | HPGDSTING1 | |
| SCHEMBL7267085 | 0.83 | STING1 (0.42) | HPGDSTING1 | |
| SCHEMBL7267092 | 0.83 | STING1 (0.42) | HPGDSTING1 | |
| SCHEMBL9539437 | 0.80 | CYP2A6 (0.47) | TSHRALDH1A1CYP3A4MAPTPOLB | |
| SCHEMBL9538543 | 0.75 | KDM4E (0.46) | MAPK1HSD17B10TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL9538549 | 0.75 | KDM4E (0.46) | MAPK1HSD17B10TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL10271885 | 0.72 | KDM4E (0.39) | MAPK1HSD17B10HPGDTSHRALDH1A1 | |
| SCHEMBL9538258 | 0.71 | CYP2A6 (0.44) | MAPK1HSD17B10TSHRALDH1A1CYP3A4 | |
| SCHEMBL8177911 | 0.69 | PDE4B (0.46) | MAPK1HPGDALDH1A1SMN1; SMN2HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993005033-A1 | BENZO[b]THIOPHENE DERIVATES, PROCESS FOR PRODUCING THE SAME AND MEDICAMENTS CONTAINING THEM | BOEHRINGER MANNHEIM GMBH (DE) | 1993-03-18 | — | — | WO | disclosed |