Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 8/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | RAB9A | P51151 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8964898 | 0.86 | RPS6KA3 (0.49) | ESR1ESR2HSD17B10RPS6KA3NPC1 | |
| SCHEMBL9603938 | 0.78 | NPC1 (0.52) | ESR1ESR2HSD17B10NPC1RAB9A | |
| SCHEMBL8964790 | 0.76 | RPS6KA3 (0.53) | ESR1ESR2HSD17B10RPS6KA3NPC1 | |
| SCHEMBL802768 | 0.75 | HSD17B10 (0.60) | ESR1ESR2HSD17B10RPS6KA3NPC1 | |
| SCHEMBL12304267 | 0.73 | HSD17B10 (0.66) | ESR1ESR2HSD17B10RPS6KA3NPC1 | |
| SCHEMBL16420812 | 0.71 | RPS6KA3 (0.55) | ESR1ESR2HSD17B10RPS6KA3NPC1 | |
| SCHEMBL8964808 | 0.71 | RPS6KA3 (0.50) | ESR1ESR2HSD17B10RPS6KA3NPC1 | |
| SCHEMBL18086820 | 0.70 | RPS6KA3 (0.57) | ESR1ESR2HSD17B10RPS6KA3NPC1 | |
| SCHEMBL12304263 | 0.70 | KDM4E (0.62) | ESR1ESR2HSD17B10RPS6KA3NPC1 | |
| SCHEMBL22686244 | 0.70 | HSD17B10 (0.64) | ESR1ESR2HSD17B10RPS6KA3NPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5587112-A | DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION | PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) | 1996-12-24 | — | — | US | disclosed |