Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | CASP3 | P42574 | 1/20 | 0.67 |
| ▸ | RAB9A | P51151 | 1/20 | 0.67 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.67 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.67 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 4/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.57 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12064923 | 0.90 | MAPT (0.76) | TDP1NPC1CASP3RAB9ASENP8 | |
| SCHEMBL28325790 | 0.90 | KMT2A (0.70) | TDP1NPC1CASP3RAB9ASENP8 | |
| SCHEMBL8609644 | 0.82 | MAPT (0.59) | TDP1NPC1RAB9AMAPTALDH1A1 | |
| SCHEMBL7366098 | 0.81 | TDP1 (0.63) | TDP1NPC1CASP3RAB9ASENP8 | |
| SCHEMBL11510012 | 0.81 | MAPT (0.64) | TDP1MAPTALDH1A1KMT2AMEN1 | |
| SCHEMBL839278 | 0.81 | TDP1 (1.00) | TDP1NPC1CASP3RAB9ASENP8 | |
| SCHEMBL12446326 | 0.80 | TDP1 (0.72) | TDP1NPC1CASP3RAB9ASENP8 | |
| SCHEMBL14219228 | 0.80 | TDP1 (0.72) | TDP1NPC1CASP3RAB9ASENP8 | |
| SCHEMBL4080431 | 0.80 | MAPT (0.69) | NPC1RAB9AMAPTALDH1A1KMT2A | |
| SCHEMBL7716471 | 0.80 | KMT2A (0.79) | NPC1RAB9AMAPTALDH1A1KMT2A |
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-2011147311-A1 | HYDROXY PROPANEDIOL DERIVATIVES, THEIR PREPARATIVE METHOD, PHARMACEUTICAL COMPOSITIONS AND USE | 中国医学科学院药物研究所 (CN) | 2011-12-01 | — | — | WO | disclosed |