Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B1 | P14061 | 3/20 | 0.63 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.59 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.51 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.51 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | RET | P07949 | 1/20 | 0.49 |
| ▸ | FLT1 | P17948 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16554188 | 0.82 | HSD17B1 (0.65) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29964 | 0.77 | HSD17B1 (1.00) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL30961698 | 0.76 | CASP3 (0.57) | CASP3SENP8SENP7SENP6NPC1 | |
| SCHEMBL1040815 | 0.74 | DYRK1A (1.00) | CYP3A4CYP2C9CYP2C19DYRK1ANPC1 | |
| SCHEMBL30961692 | 0.74 | DYRK1A (0.48) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL17770407 | 0.73 | CASP3 (0.57) | CASP3SENP8SENP7SENP6NPC1 | |
| SCHEMBL30961704 | 0.72 | NPC1 (0.59) | CASP3SENP8SENP7SENP6NPC1 | |
| SCHEMBL12988490 | 0.71 | DYRK1A (0.72) | DYRK1ANPC1RAB9AMEN1KMT2A | |
| SCHEMBL30961702 | 0.70 | CASP3 (0.45) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27192229 | 0.70 | CASP3 (0.45) | HSD17B1HSD17B2CYP3A4CYP2D6CYP2C9 |
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 |