Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.42 |
| ▸ | YAP1 | P46937 | 1/20 | 0.42 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.42 |
| ▸ | TEAD2 | Q15562 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7297800 | 0.98 | ALDH1A1 (0.42) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL7302741 | 0.90 | KDM4E (0.44) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL1835846 | 0.82 | ALDH1A1 (0.38) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL1837763 | 0.82 | ALDH1A1 (0.38) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL7306003 | 0.81 | ALDH1A1 (0.52) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL17020095 | 0.81 | ALDH1A1 (0.42) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL7299709 | 0.80 | ALDH1A1 (0.50) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL17009637 | 0.80 | ALDH1A1 (0.41) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL7303931 | 0.76 | CYP2D6 (0.53) | ALDH1A1RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL698739 | 0.74 | KDM4E (0.56) | ALDH1A1RAB9ANPC1KMT2AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0520336-A2 | Aldehyde derivatives and their use as calpain inhibitors | FUJIREBIO Inc. (JP) | 1992-12-30 | — | — | EP | disclosed |