Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 3/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KDM4A | O75164 | 2/20 | 0.35 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18179819 | 0.77 | ALDH1A1 (0.55) | ACHECES1KMT2AMEN1CYP2C19 | |
| SCHEMBL18179820 | 0.75 | CYP2A6 (0.40) | CES1TAAR1KMT2AMEN1ALDH1A1 | |
| SCHEMBL27889712 | 0.75 | ALDH1A1 (0.47) | CES1CYP1A2CYP2C19ALDH1A1ALOX15 | |
| SCHEMBL15189824 | 0.74 | KMT2A (0.50) | KMT2AMEN1ALDH1A1ALOX15TSHR | |
| SCHEMBL28245202 | 0.73 | APP (0.39) | APPACHEDDB1CRBNCES1 | |
| Water SCHEMBL28009495 | 0.73 | ALDH1A1 (0.33) | ALDH1A1ALOX15TSHRHSD17B10 | |
| SCHEMBL13338132 | 0.73 | APP (0.52) | APPACHEDDB1CRBNCES1 | |
| SCHEMBL59001 | 0.73 | APP (0.73) | APPACHEKMT2AMEN1KDM4A | |
| SCHEMBL29199216 | 0.71 | CYP2A6 (0.64) | APPKMT2AMEN1ALDH1A1HSD17B10 | |
| SCHEMBL27519594 | 0.70 | CA1 (0.39) | KMT2AMEN1CYP1A2CYP2C19ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1207294-C | Acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors | WYETH CORP (US) | 2005-06-22 | — | — | CN | disclosed |
| CN-1337962-A | Acetylenic ortho-sulfonamido and phosphinic acid amido bicyclic heteroaryl hydroxamic acids as TACE inhibitors | AMERICAN CYANAMID CO (US) | 2002-02-27 | — | — | CN | disclosed |