Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.40 |
| ▸ | KAT8 | Q9H7Z6 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.38 |
| ▸ | TYMP | P19971 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4431452 | 0.85 | HSD17B10 (0.47) | ALDH1A1KDM4EGAAKMT2ASMN1; SMN2 | |
| SCHEMBL9356524 | 0.73 | KDM4E (0.47) | IDH1ALDH1A1KDM4EGAAMAPT | |
| SCHEMBL7378429 | 0.71 | KDM4E (0.48) | AKR1B1ALDH1A1PTGDR2KDM4EGAA | |
| SCHEMBL1346299 | 0.71 | IDH1 (0.49) | IDH1ALDH1A1KDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL5396566 | 0.70 | NOTUM (0.50) | AKR1B1ALDH1A1KDM4EGAAMAPT | |
| Hydrochloric Acid SCHEMBL9356148 | 0.70 | ALDH1A1 (0.40) | IDH1ALDH1A1KDM4EMAPTMEN1 | |
| SCHEMBL18937921 | 0.69 | AKR1B1 (0.47) | IDH1AKR1B1ALDH1A1PTGDR2KDM4E | |
| SCHEMBL5199231 | 0.68 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAMAPTMEN1 | |
| SCHEMBL18937923 | 0.68 | AKR1B1 (0.42) | IDH1AKR1B1ALDH1A1PTGDR2KDM4E | |
| Phenylacetic Acid SCHEMBL28136536 | 0.66 | AKR1B1 (0.77) | AKR1B1ALDH1A1GAASMN1; SMN2LMNA |
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-2125739-A1 | MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008079371-A1 | MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF | ENCYSIVE PHARMACEUTICALS, INC. (US) | 2008-07-03 | — | — | WO | disclosed |