Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 7/20 | 0.65 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | TOP1 | P11387 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16554186 | 0.82 | HSD17B1 (0.63) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29964 | 0.79 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10736618 | 0.68 | SMN1; SMN2 (0.68) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6067936 | 0.68 | NPC1 (0.68) | MEN1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL30432 | 0.68 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5091421 | 0.68 | NPC1 (0.66) | MEN1KMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL30323 | 0.67 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL19612120 | 0.66 | TMPRSS4 (0.54) | MEN1KMT2A | |
| SCHEMBL19627241 | 0.66 | KCNMA1 (0.52) | MEN1KMT2ANPC1RAB9ALMNA | |
| SCHEMBL17251813 | 0.66 | NPC1 (0.55) | HSD17B1HSD17B2MEN1KMT2ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3041470-A1 | METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY | Board Of Regents Of the University Of Texas System (US) | 2016-07-13 | — | — | EP | disclosed |
| WO-2015035051-A1 | METHODS AND COMPOSITIONS FOR SELECTIVE AND TARGETED CANCER THERAPY | BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2015-03-12 | — | — | WO | disclosed |