Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.67 |
| ▸ | NPC1 | O15118 | 1/20 | 0.67 |
| ▸ | RAB9A | P51151 | 1/20 | 0.67 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.55 |
| ▸ | LTA4H | P09960 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | CCR8 | P51685 | 1/20 | 0.53 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7304903 | 1.00 | KDM4E (0.70) | KDM4EKMT2AALDH1A1TSHRSMN1; SMN2 | |
| SCHEMBL7304622 | 0.83 | S1PR1 (0.67) | KDM4EKMT2AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL7304629 | 0.83 | S1PR1 (0.67) | KDM4EKMT2AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL11389788 | 0.80 | MCHR1 (0.61) | KDM4EKMT2AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL11389782 | 0.80 | MCHR1 (0.61) | KDM4EKMT2AALDH1A1SMN1; SMN2MEN1 | |
| SCHEMBL21800682 | 0.78 | GAA (0.69) | KMT2AALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL608528 | 0.78 | ALDH1A1 (0.76) | KDM4EKMT2AALDH1A1TSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11829208 | 0.77 | ALDH1A1 (0.58) | KDM4EKMT2AALDH1A1TSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11829213 | 0.77 | ALDH1A1 (0.58) | KDM4EKMT2AALDH1A1TSHRSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7438287 | 0.76 | ALDH1A1 (0.74) | KDM4EKMT2AALDH1A1SMN1; SMN2PKM |
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 |