Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GNRHR | P30968 | 3/20 | 0.47 |
| ▸ | TERT | O14746 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9624622 | 0.91 | GNRHR (0.46) | GNRHRTERTCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9624372 | 0.86 | TERT (0.46) | GNRHRTERTCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9624208 | 0.83 | GNRHR (0.33) | GNRHRCYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL9624254 | 0.83 | GNRHR (0.46) | GNRHRTERTCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9623839 | 0.82 | ALDH1A1 (0.41) | TDP1KDM4ETSHR | |
| SCHEMBL9624482 | 0.81 | TDP1 (0.34) | CYP2D6TDP1 | |
| SCHEMBL9625104 | 0.80 | EDNRB (0.35) | CYP2D6CYP2C19CYP3A4KDM4ETSHR | |
| SCHEMBL9624619 | 0.80 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL9624420 | 0.80 | ALDH1A1 (0.36) | CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9624625 | 0.80 | ALDH1A1 (0.41) | TDP1KDM4ETSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5116986-A | HETEROAROMATIC AMINE DERIVATIVES | DR. KARL THOMAE GMBH (DE) | 1992-05-26 | — | — | US | disclosed |
| US-4912115-A | Cardiovascular disorders | DR. KARL THOMAE GMBH (DE) | 1990-03-27 | — | — | US | disclosed |