Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | TYMS | P04818 | 4/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9041820 | 0.81 | ALDH1A1 (0.63) | ALDH1A1MAPK1HPGDHIF1AHSD17B10 | |
| SCHEMBL9078090 | 0.77 | TYMS (0.41) | ALDH1A1HIF1AHSD17B10TSHRCASP1 | |
| Hydrochloric Acid SCHEMBL9078085 | 0.76 | TYMS (0.40) | ALDH1A1HIF1AHSD17B10TSHRCASP1 | |
| SCHEMBL9077637 | 0.75 | ALDH1A1 (0.51) | ALDH1A1MAPK1HPGDHIF1AHSD17B10 | |
| SCHEMBL6390636 | 0.75 | ALDH1A1 (0.40) | ALDH1A1MAPK1HPGDHIF1AHSD17B10 | |
| SCHEMBL1565203 | 0.74 | TYMS (0.64) | MAPK1TYMSRAB9AKMT2AMPO | |
| SCHEMBL7988846 | 0.73 | ALDH1A1 (0.58) | ALDH1A1MAPK1HPGDHIF1AHSD17B10 | |
| SCHEMBL9079767 | 0.72 | KLK7 (0.51) | ALDH1A1HSD17B10TYMSNPC1RAB9A | |
| SCHEMBL7218852 | 0.69 | ALDH1A1 (0.48) | ALDH1A1MAPK1HPGDHIF1AHSD17B10 | |
| SCHEMBL103 | 0.69 | ALOX15 (0.60) | ALDH1A1MAPK1HPGDHIF1AHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-5585382-A | ANTICARCINOGENIC AGENTS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-12-17 | — | — | US | disclosed |
| US-5416089-A | Antitumor agent | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-05-16 | — | — | US | disclosed |