Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 7/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824159 | 1.00 | ALDH1A1 (0.40) | ALDH1A1CCR2TSHRNPSR1L3MBTL1 | |
| SCHEMBL9824794 | 0.84 | TDP1 (0.34) | ALDH1A1CCR2TSHRL3MBTL1HRH3 | |
| SCHEMBL9824788 | 0.84 | TDP1 (0.34) | ALDH1A1CCR2TSHRL3MBTL1HRH3 | |
| SCHEMBL9824698 | 0.78 | S1PR1 (0.35) | ALDH1A1TSHRL3MBTL1MEN1KMT2A | |
| SCHEMBL9824706 | 0.78 | S1PR1 (0.35) | ALDH1A1TSHRL3MBTL1MEN1KMT2A | |
| SCHEMBL9824144 | 0.77 | LTA4H (0.36) | ALDH1A1TSHRNPSR1OPRL1OPRM1 | |
| SCHEMBL9824314 | 0.77 | LTA4H (0.36) | ALDH1A1TSHRNPSR1OPRL1OPRM1 | |
| SCHEMBL9824547 | 0.75 | GNAI3 (0.33) | HRH3 | |
| SCHEMBL9824543 | 0.75 | GNAI3 (0.33) | HRH3 | |
| SCHEMBL9824064 | 0.73 | LTA4H (0.40) | ALDH1A1TSHRNPSR1L3MBTL1OPRL1 |
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-0273239-B1 | CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1991-03-06 | — | — | EP | disclosed |
| US-4873236-A | BRADYCARDIAL AGENTS | DR. KARL THOMAE GMBH (DE) | 1989-10-10 | — | — | US | disclosed |
| EP-0273239-A1 | Condensed diazepinones, processes for their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1988-07-06 | — | — | EP | disclosed |