Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.36 |
| ▸ | CCR9 | P51686 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6918846 | 0.87 | MEN1 (0.40) | ALDH1A1CYP1A2HTTCYP3A4CYP2C9 | |
| SCHEMBL6350764 | 0.82 | ALDH1A1 (0.46) | HSD17B10ALDH1A1CYP1A2HTTCYP3A4 | |
| SCHEMBL6919363 | 0.76 | SMN1; SMN2 (0.37) | ALDH1A1CYP1A2HTTCYP3A4CYP2C9 | |
| SCHEMBL6356850 | 0.73 | AKR1C2 (0.58) | ALDH1A1HTTTDP1MAPTMEN1 | |
| SCHEMBL266904 | 0.72 | ALDH1A1 (0.48) | HSD17B10ALDH1A1CYP1A2HTTCYP3A4 | |
| Hydrochloric Acid SCHEMBL6347252 | 0.72 | AKR1C2 (0.57) | ALDH1A1HTTTDP1MAPTMEN1 | |
| SCHEMBL4016992 | 0.69 | APEX1 (0.58) | HSD17B10CYP1A2HTTCYP3A4CYP2C9 | |
| SCHEMBL6350766 | 0.69 | ALDH1A1 (0.46) | ALDH1A1CYP1A2HTTCYP3A4CYP2C9 | |
| SCHEMBL27507843 | 0.68 | MAPT (0.46) | HSD17B10ALDH1A1CYP1A2HTTCYP3A4 | |
| SCHEMBL1346611 | 0.67 | POLB (0.55) | HSD17B10ALDH1A1CYP1A2HTTCYP3A4 |
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-2004018414-A2 | ANTIBACTERIAL AGENTS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2004-03-04 | — | — | WO | disclosed |