Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | TYMS | P04818 | 3/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.35 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7347752 | 0.92 | ALDH1A1 (0.42) | CES1TYMSSRD5A1SRD5A2NOTUM | |
| SCHEMBL7336750 | 0.89 | CYP1A2 (0.36) | CES1SRD5A2PARP1KDM4EALDH1A1 | |
| SCHEMBL7339006 | 0.87 | NOTUM (0.44) | CES1TYMSSRD5A1SRD5A2NOTUM | |
| SCHEMBL7342355 | 0.86 | CES1 (0.40) | CES1TYMSSRD5A1SRD5A2NOTUM | |
| Hydrochloric Acid SCHEMBL7337010 | 0.84 | CES1 (0.39) | CES1TYMSSRD5A1SRD5A2NOTUM | |
| SCHEMBL7340881 | 0.82 | KDM4E (0.54) | CES1SRD5A1SRD5A2NOTUMKDM4E | |
| SCHEMBL7338264 | 0.79 | TYMS (0.46) | CES1TYMSSRD5A1SRD5A2PDPK1 | |
| SCHEMBL7336897 | 0.79 | CES1 (0.44) | CES1TYMSSRD5A1SRD5A2MIF | |
| SCHEMBL7345410 | 0.78 | KDM4E (0.48) | CES1TYMSSRD5A1SRD5A2L3MBTL1 | |
| SCHEMBL7345933 | 0.77 | SRD5A1 (0.38) | CES1TYMSSRD5A1SRD5A2NOTUM |
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-4511569-A | Tricyclic lactams and derivatives useful in increasing cardiac contractility | SCHERING CORPORATION (US) | 1985-04-16 | — | — | US | disclosed |
| EP-0102046-A1 | Tricyclic lactams, method for making them, pharmaceutical compositions containing them | SCHERING CORPORATION (US) | 1984-03-07 | — | — | EP | disclosed |