Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 5/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CETP | P11597 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | UBE2N | P61088 | 1/20 | 0.33 |
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11577400 | 0.88 | LMNA (0.40) | ALDH1A1LMNACYP3A4NFKB1 | |
| SCHEMBL2833774 | 0.78 | SPHK1 (0.41) | ALDH1A1SPHK1CA2CYP2D6GMNN | |
| SCHEMBL1824329 | 0.76 | CA2 (0.38) | ALDH1A1SPHK1CA2CYP2D6GMNN | |
| SCHEMBL11573573 | 0.76 | ALDH1A1 (0.40) | ALDH1A1SPHK1CA2CYP2D6GMNN | |
| SCHEMBL1702828 | 0.76 | LCK (0.38) | ALDH1A1SPHK1CA2CYP2D6GMNN | |
| SCHEMBL5426621 | 0.74 | — | — | |
| SCHEMBL4235709 | 0.74 | — | — | |
| SCHEMBL21229184 | 0.73 | ALDH1A1 (0.38) | ALDH1A1CA2CYP3A4FDPSMAPK1 | |
| SCHEMBL8355649 | 0.72 | SPHK1 (0.48) | ALDH1A1SPHK1CYP2D6GMNNLMNA | |
| SCHEMBL15718783 | 0.71 | SPHK1 (0.52) | ALDH1A1SPHK1CA2CYP2D6GMNN |
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 |
|---|---|---|---|---|---|---|---|
| US-4113444-A | HALONITRO ALCOHOLS | GULF RESEARCH & DEVELOPMENT CO. (US) | 1978-09-12 | — | — | US | disclosed |