Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.44 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.44 |
| ▸ | GGT1 | P19440 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4264348 | 0.80 | KDM4E (0.53) | HSD17B10KDM4EPTGS2ESR1ALDH1A1 | |
| SCHEMBL2337247 | 0.77 | KDM4E (0.66) | HSD17B10KDM4EPTGS2ESR1ALDH1A1 | |
| SCHEMBL25345241 | 0.76 | F2 (0.41) | HSD17B10KDM4EALDH1A1TSHRHPGD | |
| SCHEMBL8205898 | 0.74 | MAPT (0.63) | HSD17B10KDM4EPTGS2ESR1ALDH1A1 | |
| SCHEMBL874329 | 0.74 | PTGS2 (0.57) | HSD17B10KDM4EPTGS2ESR1ALDH1A1 | |
| SCHEMBL8527418 | 0.73 | CA12 (0.58) | TSHRLMNAMAPTKMT2ASMN1; SMN2 | |
| SCHEMBL14674824 | 0.73 | KDM4E (0.52) | HSD17B10KDM4EPTGS2ESR1ALDH1A1 | |
| SCHEMBL27627508 | 0.72 | CA12 (0.56) | HSD17B10KDM4EPTGS2ESR1ALDH1A1 | |
| SCHEMBL2338852 | 0.72 | HSD17B10 (0.63) | HSD17B10KDM4EPTGS2ESR1ALDH1A1 | |
| Acetic Acid SCHEMBL777098 | 0.72 | TSHR (0.62) | HSD17B10ALDH1A1TSHRTDP1NAPRT |
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-2011098839-A2 | DI-ASPIRIN DERIVATIVES | THE UNIVERSITY OF WOLVERHAMPTON (GB) | 2011-08-18 | — | — | WO | disclosed |