Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | CES2 | O00748 | 1/20 | 0.58 |
| ▸ | CES1 | P23141 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 3/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL30686023 | 0.84 | TSHR (0.72) | TSHRCES2CES1ALDH1A1CYP3A4 | |
| SCHEMBL1086346 | 0.84 | TSHR (0.72) | TSHRCES2CES1ALDH1A1CYP3A4 | |
| SCHEMBL30955224 | 0.83 | TSHR (0.65) | TSHRCES2CES1ALDH1A1CYP3A4 | |
| Hydrochloric Acid SCHEMBL9202510 | 0.81 | TSHR (0.63) | TSHRCES2CES1ALDH1A1CYP3A4 | |
| SCHEMBL16959576 | 0.80 | TSHR (0.71) | TSHRCES2CES1ALDH1A1CYP3A4 | |
| SCHEMBL17303445 | 0.80 | TSHR (0.77) | TSHRCES2CES1ALDH1A1CYP3A4 | |
| SCHEMBL14738946 | 0.80 | TSHR (0.61) | TSHRCES2CES1ALDH1A1CYP3A4 | |
| SCHEMBL13495909 | 0.80 | TSHR (0.61) | TSHRCES2CES1ALDH1A1CYP3A4 | |
| SCHEMBL31261532 | 0.80 | TSHR (0.61) | TSHRCES2CES1ALDH1A1CYP3A4 | |
| SCHEMBL8280961 | 0.79 | VCAM1 (0.67) | ALDH1A1KMT2AMEN1MAPTLMNA |
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-2009064738-A2 | TREATMENT OF BREAST CANCER WITH A PARP INHIBITOR ALONE OR IN COMBINATION WITH ANTI-TUMOR AGENTS | BIPAR SCIENCES, INC. (US) | 2009-05-22 | — | — | WO | disclosed |