Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 3/20 | 0.48 |
| ▸ | NQO2 | P16083 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | RAF1 | P04049 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1435545 | 1.00 | ALDH1A1 (0.55) | ALDH1A1MAPTLMNACYP1B1SMN1; SMN2 | |
| SCHEMBL1435232 | 0.92 | MAPT (0.54) | ALDH1A1MAPTLMNACYP1B1SMN1; SMN2 | |
| SCHEMBL1435330 | 0.80 | PTPN1 (0.57) | ALDH1A1MAPTLMNACYP1B1SMN1; SMN2 | |
| SCHEMBL1250072 | 0.78 | ADORA3 (0.54) | ALDH1A1MAPTLMNASMN1; SMN2RAB9A | |
| SCHEMBL1435486 | 0.78 | MAPT (0.56) | ALDH1A1MAPTLMNACYP1B1SMN1; SMN2 | |
| SCHEMBL5909542 | 0.77 | KDM4E (0.49) | ALDH1A1SMN1; SMN2KMT2ARAB9AMEN1 | |
| SCHEMBL1435687 | 0.75 | MAPT (0.60) | ALDH1A1MAPTLMNACYP1B1SMN1; SMN2 | |
| SCHEMBL11224795 | 0.72 | ALDH1A1 (0.51) | ALDH1A1MAPTSMN1; SMN2KMT2AMEN1 | |
| SCHEMBL5924855 | 0.72 | ALDH1A1 (0.55) | ALDH1A1MAPTSMN1; SMN2KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL11231052 | 0.71 | PTGS2 (0.56) | ALDH1A1MAPTSMN1; SMN2KMT2AMEN1 |
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-1898908-B1 | NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT | TROPHOS (FR) | 2011-03-30 | — | — | EP | claimed |
| EP-1898908-B1 | NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT | TROPHOS (FR) | 2011-03-30 | — | — | EP | disclosed |