Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 5/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7228433 | 0.80 | BCL2L1 (0.41) | TDP1ALDH1A1SMN1; SMN2HPGDMAPT | |
| SCHEMBL7224162 | 0.80 | PKM (0.49) | PKMTDP1ALDH1A1TP53TSHR | |
| SCHEMBL7223602 | 0.78 | MCHR1 (0.46) | ALDH1A1TSHRSMN1; SMN2HPGDKMT2A | |
| SCHEMBL7221784 | 0.78 | LTA4H (0.55) | ALDH1A1MAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7221119 | 0.78 | LTA4H (0.54) | TDP1ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL7221674 | 0.75 | BCL2L1 (0.39) | PKMALDH1A1SMN1; SMN2CYP3A4HPGD | |
| Hydrochloric Acid SCHEMBL7221116 | 0.75 | NPBWR1 (0.37) | PKMALDH1A1SMN1; SMN2HPGDMAPT | |
| SCHEMBL6099389 | 0.74 | PKM (0.76) | PKMTDP1ALDH1A1TP53TSHR | |
| SCHEMBL5994567 | 0.74 | PKM (0.76) | PKMTDP1ALDH1A1TP53TSHR | |
| SCHEMBL410250 | 0.74 | PKM (0.76) | PKMTDP1ALDH1A1TP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6610705-B1 | Treating breast cancer, osteoporosis, hypercholesteremia or endometriosis | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2003-08-26 | — | — | US | disclosed |