Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL12499268 | 1.00 | TSHR (0.50) | TSHRCES1CES2PKMSRC | |
| SCHEMBL27941250 | 0.92 | TSHR (0.54) | TSHRCES1CES2PKMSRC | |
| SCHEMBL417437 | 0.89 | TSHR (0.50) | TSHRCES1CES2PKMSRC | |
| SCHEMBL15081529 | 0.82 | TSHR (0.56) | TSHRCES1CES2SRCCYP19A1 | |
| SCHEMBL14868116 | 0.82 | TSHR (0.56) | TSHRCES1CES2SRCCYP19A1 | |
| SCHEMBL14868118 | 0.82 | TSHR (0.56) | TSHRCES1CES2SRCCYP19A1 | |
| SCHEMBL3401338 | 0.81 | TSHR (0.47) | TSHRCES1CES2PKMSRC | |
| SCHEMBL15295334 | 0.81 | SMN1; SMN2 (0.44) | TSHRCES1CES2POLBHPGD | |
| SCHEMBL3401337 | 0.81 | TSHR (0.47) | TSHRCES1CES2PKMSRC | |
| SCHEMBL6067672 | 0.80 | ALDH1A1 (0.54) | CYP19A1HPGDKMT2AALDH1A1MAPT |
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-2012103071-A2 | COMPOUNDS AND COMPOSITIONS | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2012-08-02 | — | — | WO | disclosed |