Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TERT | O14746 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | GNRHR | P30968 | 10/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9625005 | 0.90 | TERT (0.45) | TERTKDM4ECYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9624933 | 0.86 | HDAC6 (0.38) | TERTKDM4EGNRHRCYP3A4POLB | |
| SCHEMBL9623969 | 0.86 | GNRHR (0.47) | TERTKDM4ECYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9624203 | 0.82 | CYP2C9 (0.35) | TERTKDM4ECYP2C9CYP2C19CYP3A4 | |
| SCHEMBL9624201 | 0.80 | CHRNA7 (0.42) | KDM4ECYP3A4 | |
| SCHEMBL9624248 | 0.80 | HDAC6 (0.35) | KDM4EGNRHRCYP3A4 | |
| SCHEMBL9625083 | 0.79 | HDAC6 (0.37) | KDM4ECYP3A4TSHR | |
| SCHEMBL10644226 | 0.78 | CHRNA7 (0.40) | KDM4ETDP1 | |
| SCHEMBL9624774 | 0.78 | HDAC6 (0.36) | KDM4ECYP2D6CYP2C19CYP1A2CYP3A4 | |
| SCHEMBL9625527 | 0.78 | L3MBTL1 (0.38) | POLBTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0269968-A2 | Heteroaromatic amine derivatives, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-06-08 | — | — | EP | disclosed |