Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | GRM8 | O00222 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.37 |
| ▸ | DPP9 | Q86TI2 | 1/20 | 0.37 |
| ▸ | PTPRA | P18433 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8649043 | 0.79 | PDK1 (0.33) | TDP1ALDH1A1CYP1A2SMN1; SMN2MEN1 | |
| SCHEMBL2818968 | 0.79 | CYP1A2 (0.56) | TDP1ALDH1A1CYP1A2GRM8GRM4 | |
| SCHEMBL3466826 | 0.78 | GRM8 (0.39) | TDP1ALDH1A1CYP1A2GRM8GRM4 | |
| SCHEMBL3466061 | 0.76 | GRM8 (0.41) | TDP1ALDH1A1CYP1A2GRM8GRM4 | |
| SCHEMBL9755057 | 0.75 | CYP1A2 (0.57) | TDP1ALDH1A1CYP1A2GRM8GRM4 | |
| SCHEMBL10891708 | 0.71 | CYP1A2 (0.64) | TDP1ALDH1A1CYP1A2MAPTSMN1; SMN2 | |
| SCHEMBL6657903 | 0.71 | PDK1 (0.38) | TDP1ALDH1A1POLBMEN1KMT2A | |
| SCHEMBL7776987 | 0.71 | GSR (0.44) | DPP8DPP9DPP7 | |
| SCHEMBL1273914 | 0.71 | GSR (0.44) | DPP8DPP9DPP7 | |
| SCHEMBL22458880 | 0.70 | POLB (0.52) | ALDH1A1MAPTPOLBSMN1; SMN2MEN1 |
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-2010071772-A2 | SYNTHESIS OF 3B-AMINO-5-CHOLESTENE AND RELATED 3B-HALIDES INVOLVING I-STEROID AND RETRO-I-STEROID REARRANGEMENTS | THE PENN STATE RESEARCH FOUNDATION (US) | 2010-06-24 | — | — | WO | disclosed |