Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | NSD1 | Q96L73 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL20103030 | 0.88 | CYP3A4 (0.54) | CYP3A4TDP1HSD17B10RAB9ASMN1; SMN2 | |
| SCHEMBL28071115 | 0.80 | CYP3A4 (0.47) | CYP3A4TDP1HSD17B10RAB9ASMN1; SMN2 | |
| SCHEMBL28795289 | 0.80 | CYP3A4 (0.60) | CYP3A4TDP1HSD17B10RAB9ASMN1; SMN2 | |
| SCHEMBL29803040 | 0.80 | CYP3A4 (0.60) | CYP3A4TDP1HSD17B10RAB9ASMN1; SMN2 | |
| SCHEMBL9722840 | 0.79 | CYP3A4 (0.58) | CYP3A4TDP1HSD17B10SMN1; SMN2CYP1A2 | |
| SCHEMBL2664863 | 0.79 | HSD17B10 (0.64) | CYP3A4TDP1HSD17B10RAB9ASMN1; SMN2 | |
| SCHEMBL21091722 | 0.78 | CYP3A4 (0.57) | CYP3A4TDP1HSD17B10RAB9ASMN1; SMN2 | |
| SCHEMBL21054913 | 0.78 | NSD1 (0.58) | CYP3A4TDP1HSD17B10SMN1; SMN2CYP1A2 | |
| SCHEMBL21395394 | 0.78 | CYP3A4 (0.57) | CYP3A4TDP1HSD17B10RAB9ASMN1; SMN2 | |
| SCHEMBL21099753 | 0.78 | ALDH1A1 (0.62) | CYP3A4TDP1HSD17B10SMN1; SMN2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018081276-A1 | COMPOUNDS | TESARO, INC. (US) | 2018-05-03 | — | — | WO | disclosed |