Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 10/20 | 0.47 |
| ▸ | HSD17B2 | P37059 | 9/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | SRC | P12931 | 2/20 | 0.46 |
| ▸ | PLK4 | O00444 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | RET | P07949 | 1/20 | 0.46 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | PRKACA | P17612 | 1/20 | 0.46 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.46 |
| ▸ | LTK | P29376 | 1/20 | 0.46 |
| ▸ | GRK5 | P34947 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3440709 | 0.82 | HSD17B1 (0.52) | HSD17B1HSD17B2CYP3A4CYP2C9SRC | |
| SCHEMBL27877792 | 0.81 | HSD17B1 (0.50) | HSD17B1HSD17B2CYP3A4CYP2C9SRC | |
| SCHEMBL30439996 | 0.81 | HSD17B1 (0.50) | HSD17B1HSD17B2CYP3A4CYP2C9SRC | |
| SCHEMBL28032846 | 0.78 | ALDH1A1 (0.50) | CYP3A4MAP4K4FGFR1PDGFRALTK | |
| SCHEMBL29274144 | 0.78 | TAAR1 (0.48) | ROCK2MAP4K4PIM1PRKACACLK4 | |
| SCHEMBL28670003 | 0.78 | MAP4K4 (0.46) | MAP4K4PDGFRBPIM1FGFR1PDGFRA | |
| SCHEMBL28923514 | 0.78 | ALDH1A1 (0.41) | ADORA1ALDH1A1CYP1A2LMNAHSD17B10 | |
| SCHEMBL28457468 | 0.76 | HSD17B1 (0.48) | HSD17B1HSD17B2CYP3A4CYP2C9SRC | |
| SCHEMBL4779452 | 0.75 | HSD17B1 (0.64) | HSD17B1HSD17B2CYP3A4CYP2C9SRC | |
| SCHEMBL6755335 | 0.75 | ALDH1A1 (0.36) | CYP3A4PIM1CSNK1DDYRK1AALDH1A1 |
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-5093495-A | Benzoheterocyclic compounds | SHELL OIL COMPANY (US) | 1992-03-03 | — | — | US | disclosed |
| US-5071996-A | Benzheterocyclic compounds | SHELL OIL COMPANY (US) | 1991-12-10 | — | — | US | disclosed |