Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11158867 | 0.91 | MEN1 (0.47) | ALDH1A1CYP1A2CYP2C19RECQLCYP2C9 | |
| SCHEMBL7676895 | 0.87 | RAB9A (0.48) | ALDH1A1CYP1A2CYP2C19RECQLCYP2C9 | |
| SCHEMBL687742 | 0.80 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2C19RECQLCYP2C9 | |
| SCHEMBL29020269 | 0.78 | ALDH1A1 (0.60) | ALDH1A1CYP1A2CYP2C19RECQLCYP2C9 | |
| SCHEMBL11206210 | 0.78 | NPSR1 (0.44) | ALDH1A1CYP1A2CYP2C19RECQLCYP2C9 | |
| SCHEMBL27814206 | 0.77 | KDM4E (0.47) | ALDH1A1CYP1A2CYP2C19RECQLCYP2C9 | |
| SCHEMBL11531240 | 0.75 | TSHR (0.53) | ALDH1A1CYP1A2CYP2C19RECQLCYP2C9 | |
| SCHEMBL14665139 | 0.74 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2C19RECQLCYP2C9 | |
| SCHEMBL14828743 | 0.73 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C19RECQLCYP2C9 | |
| SCHEMBL6217005 | 0.72 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP2C19RECQLCYP2C9 |
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-4136097-A | COPPER(II) COMPLEX AS PROMOTER | MCNEIL LABORATORIES, INC. (US) | 1979-01-23 | — | — | US | disclosed |