Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL8992161 | 1.00 | ALDH1A1 (0.40) | ALDH1A1TSHRGAALMNAPTGS2 | |
| SCHEMBL8534273 | 0.82 | PTGS2 (0.55) | ALDH1A1GAAPTGS2MEN1KMT2A | |
| SCHEMBL8534268 | 0.82 | PTGS2 (0.55) | ALDH1A1GAAPTGS2MEN1KMT2A | |
| SCHEMBL8895623 | 0.76 | PTGS2 (0.48) | ALDH1A1GAALMNAPTGS2MAPT | |
| SCHEMBL8992131 | 0.76 | PTGS2 (0.48) | ALDH1A1GAALMNAPTGS2MAPT | |
| SCHEMBL8933379 | 0.75 | ALDH1A1 (0.40) | ALDH1A1TSHRGAALMNAPTGS2 | |
| SCHEMBL8580683 | 0.75 | ALDH1A1 (0.40) | ALDH1A1TSHRGAALMNAMAPT | |
| SCHEMBL9029562 | 0.75 | ALDH1A1 (0.40) | ALDH1A1TSHRGAALMNAPTGS2 | |
| SCHEMBL8992104 | 0.74 | PTGS2 (0.52) | ALDH1A1GAAPTGS2MEN1KMT2A | |
| SCHEMBL8894309 | 0.74 | PTGS2 (0.52) | ALDH1A1GAAPTGS2MEN1KMT2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0391644-B1 | Aryl-substituted rhodanine derivatives | LILLY CO ELI (US) | 1996-06-19 | — | — | EP | disclosed |
| US-5356917-A | Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals | ELI LILLY AND COMPANY (US) | 1994-10-18 | — | — | US | disclosed |
| US-5158966-A | Aryl-substituted rhodanine derivatives | THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) | 1992-10-27 | — | — | US | disclosed |