Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17737211 | 0.91 | CYP19A1 (0.43) | CYP19A1CYP11B1CYP11B2ALDH1A1CA12 | |
| SCHEMBL17737208 | 0.78 | CYP19A1 (0.46) | CYP19A1CYP11B1CYP11B2ALDH1A1RIPK1 | |
| SCHEMBL9876701 | 0.77 | CA1 (0.50) | ALDH1A1CA1CA2MAPTMEN1 | |
| SCHEMBL9876664 | 0.77 | CA12 (0.67) | ALDH1A1CA12MAPTMEN1KMT2A | |
| SCHEMBL9877569 | 0.77 | PTGS2 (0.45) | ALDH1A1MAPTTDP1MEN1KMT2A | |
| SCHEMBL17737210 | 0.76 | NPC1 (0.50) | CYP19A1CYP11B1CYP11B2ALDH1A1MAPT | |
| SCHEMBL17737249 | 0.74 | CYP19A1 (0.56) | CYP19A1CYP11B1CYP11B2ALDH1A1RIPK1 | |
| SCHEMBL17737207 | 0.73 | ERN1 (0.53) | CYP19A1CYP11B1CYP11B2ALDH1A1RIPK1 | |
| SCHEMBL21117419 | 0.73 | CA12 (0.46) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL20767513 | 0.71 | CYP19A1 (0.48) | CYP19A1CYP11B1CYP11B2ALDH1A1RIPK1 |
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-9638690-B2 | Compounds and compositions for use as alkylating agent sensors and methods of use thereof | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2017-05-02 | — | — | US | disclosed |