Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.32 |
| ▸ | HPGD | P15428 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TYMS | P04818 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3308997 | 0.81 | ALDH1A1 (0.38) | TSHRALDH1A1HPGDGAAMAPT | |
| SCHEMBL28896828 | 0.72 | TSHR (0.41) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL8558686 | 0.71 | CYP3A4 (0.40) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL8553587 | 0.69 | BACE1 (0.39) | TSHRBACE1ALDH1A1HPGDKMT2A | |
| SCHEMBL15848208 | 0.69 | CYP3A4 (0.35) | CYP3A4TSHRBACE1ALDH1A1HPGD | |
| SCHEMBL27538147 | 0.69 | TSHR (0.46) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL27577152 | 0.69 | TSHR (0.46) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| SCHEMBL27497708 | 0.68 | TSHR (0.41) | CYP3A4TSHRALDH1A1HPGDKDM4E | |
| Hydrochloric Acid SCHEMBL9179624 | 0.68 | BACE1 (0.38) | TSHRBACE1ALDH1A1HPGDKMT2A | |
| Acenaphthene SCHEMBL27875520 | 0.67 | TSHR (0.55) | CYP3A4TSHRALDH1A1HPGDKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0635497-B1 | Benzospiroalkene derivatives, process for their preparation and pharmaceutical compostions containing them | ADIR (FR) | 1998-05-20 | — | — | EP | disclosed |
| US-5436261-A | Adrenergic agonists | ADIR ET COMPAGNIE (FR) | 1995-07-25 | — | — | US | disclosed |
| EP-0635497-A2 | Benzospiroalkene derivatives, process for their preparation and pharmaceutical compostions containing them | ADIR ET COMPAGNIE (FR) | 1995-01-25 | — | — | EP | disclosed |