Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14042116 | 0.86 | TSHR (0.42) | TDP1ALDH1A1TSHRCA1CA2 | |
| SCHEMBL4746160 | 0.85 | CA1 (0.44) | ALDH1A1TSHRCA1CA2CYP1A2 | |
| SCHEMBL8935768 | 0.85 | TDP1 (0.55) | TDP1ALDH1A1TSHRCYP1A2GAA | |
| SCHEMBL8935765 | 0.85 | TDP1 (0.55) | TDP1ALDH1A1TSHRCYP1A2GAA | |
| SCHEMBL20562032 | 0.83 | CA1 (0.41) | TDP1ALDH1A1TSHRCA1CA2 | |
| SCHEMBL2557622 | 0.83 | CA1 (0.41) | TDP1ALDH1A1TSHRCA1CA2 | |
| SCHEMBL15331107 | 0.82 | KMT2A (0.58) | CA1CA2CYP1A2GAACYP2C9 | |
| SCHEMBL1598490 | 0.82 | TSHR (0.50) | TDP1ALDH1A1TSHRCA1CA2 | |
| SCHEMBL2556391 | 0.79 | KMT2A (0.58) | TSHRCA1CA2CYP1A2GAA | |
| SCHEMBL15330607 | 0.79 | KMT2A (0.43) | ALDH1A1CA1CA2CYP1A2CYP2C9 |
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-2008121602-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 2008-10-09 | — | — | WO | disclosed |