Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL11714649 | 0.98 | MAPT (0.47) | MAPTTP53KDM4EALDH1A1LMNA | |
| SCHEMBL29928 | 0.98 | MAPT (0.50) | MAPTTP53KDM4EALDH1A1LMNA | |
| SCHEMBL11870432 | 0.97 | TP53 (0.48) | MAPTTP53KDM4EALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL11483295 | 0.97 | MAPT (0.48) | MAPTTP53KDM4EALDH1A1LMNA | |
| Water SCHEMBL11712599 | 0.97 | MAPT (0.48) | MAPTTP53KDM4EALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL11711143 | 0.95 | MAPT (0.47) | MAPTTP53KDM4EALDH1A1LMNA | |
| Water SCHEMBL11712349 | 0.95 | TP53 (0.47) | MAPTTP53KDM4EALDH1A1LMNA | |
| Water SCHEMBL11717659 | 0.95 | MAPT (0.47) | MAPTTP53KDM4EALDH1A1LMNA | |
| SCHEMBL669048 | 0.90 | TP53 (0.42) | MAPTTP53KDM4EALDH1A1LMNA | |
| SCHEMBL11716403 | 0.88 | CA1 (0.44) | MAPTTP53KDM4EALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-4003891-A | SOLID STATE | HOFFMANN-LA ROCHE INC. (US) | 1977-01-18 | — | — | US | disclosed |
| US-3966734-A | COMPLEXING WITH FERRIC CHLORIDE | HOFFMANN-LA ROCHE INC. (US) | 1976-06-29 | — | — | US | disclosed |