Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | STK17B | O94768 | 1/20 | 0.42 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 5/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL4967914 | 0.86 | TDP1 (0.44) | TDP1CYP3A4CA1CA2CA12 | |
| SCHEMBL30722163 | 0.86 | TDP1 (0.44) | TDP1CYP3A4CA1CA2CA12 | |
| SCHEMBL2705787 | 0.84 | TDP1 (0.49) | TDP1CYP3A4CA1CA2CA12 | |
| SCHEMBL205459 | 0.82 | CA1 (0.45) | TDP1CYP3A4CA1CA2CA12 | |
| SCHEMBL29925130 | 0.82 | CA1 (0.45) | TDP1CYP3A4CA1CA2CA12 | |
| SCHEMBL24746443 | 0.80 | CA1 (0.45) | TDP1DRD2CYP3A4CA1CA2 | |
| SCHEMBL29891357 | 0.80 | CA1 (0.45) | TDP1DRD2CYP3A4CA1CA2 | |
| SCHEMBL17410238 | 0.80 | CA1 (0.48) | TDP1DRD2CYP3A4ALDH1A1PKM | |
| SCHEMBL24350075 | 0.79 | NPC1 (0.54) | TDP1TSHRCA1CA2CA12 | |
| SCHEMBL28577976 | 0.78 | MGLL (0.50) | TDP1DRD2CYP3A4CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010138490-A1 | BENZOXAZEPINES AS INHIBITORS OF MTOR AND METHODS OF THEIR USE AND MANUFACTURE | EXELIXIS, INC. (US) | 2010-12-02 | — | — | WO | disclosed |