Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.87 |
| ▸ | TSHR | P16473 | 7/20 | 0.87 |
| ▸ | LMNA | P02545 | 3/20 | 0.87 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.84 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.84 |
| ▸ | TP53 | P04637 | 1/20 | 0.84 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.75 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.75 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.70 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.70 |
| ▸ | POLB | P06746 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.55 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.55 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| 1,4-Butanediol SCHEMBL27831716 | 1.00 | ALDH1A1 (0.87) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| 1,4-Butanediol SCHEMBL28162137 | 0.98 | ALDH1A1 (0.84) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| 1,6-Hexanediol SCHEMBL28193959 | 0.98 | ALDH1A1 (0.84) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| 1,4-Butanediol SCHEMBL28228666 | 0.97 | TSHR (0.82) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| 1,3-Propanediol SCHEMBL28169735 | 0.97 | ALDH1A1 (0.87) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| Butyl Alcohol SCHEMBL28195189 | 0.97 | ALDH1A1 (0.87) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL27863601 | 0.97 | ALDH1A1 (0.81) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| Dibutyl Phthalate SCHEMBL28835053 | 0.95 | TSHR (0.83) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| SCHEMBL27701080 | 0.95 | TSHR (0.83) | ALDH1A1TSHRLMNAMAPK1CYP3A4 | |
| Ethylene Glycol SCHEMBL9063382 | 0.95 | ALDH1A1 (0.90) | ALDH1A1TSHRLMNAMAPK1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107163898-A | A kind of preparation method of high temperature resistant type damp solidifying polyurethane PUR | 天永诚高分子材料（常州）有限公司 | 2017-09-15 | — | — | CN | claimed |
| CN-107163898-A | A kind of preparation method of high temperature resistant type damp solidifying polyurethane PUR | 天永诚高分子材料（常州）有限公司 | 2017-09-15 | — | — | CN | disclosed |