Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.58 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1662928 | 0.95 | CYP2A6 (0.58) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL29954356 | 0.84 | PTGS1 (0.48) | CYP2A6CYP2A13ALDH1A1TSHRAPP | |
| SCHEMBL5202353 | 0.84 | CYP2A6 (0.48) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL1764812 | 0.80 | CYP2A6 (0.44) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL6815808 | 0.80 | CYP2A6 (0.44) | CYP2A6CYP2A13ALDH1A1LMNA | |
| SCHEMBL12555616 | 0.80 | CYP2A6 (0.44) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL14291516 | 0.80 | CYP2A6 (0.44) | CYP2A6CYP2A13TSHR | |
| SCHEMBL10364555 | 0.78 | CYP2A6 (0.47) | CYP2A6CYP2A13ALDH1A1RELAMAPK1 | |
| SCHEMBL28801518 | 0.77 | CYP2A6 (0.41) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 | |
| SCHEMBL29740784 | 0.77 | CYP2A6 (0.56) | CYP2A6CYP2A13ALDH1A1ALDH3A1ALDH1A3 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023010191-A1 | N-ACYLHYDRAZONE COMPOUNDS CAPABLE OF INHIBITING NAV1.7 AND/OR NAV1.8, PROCESSES FOR THE PREPARATION THEREOF, COMPOSITIONS, USES, METHODS FOR TREATMENT USING SAME, AND KITS | EUROFARMA LABORATÓRIOS S.A. (BR) | 2023-02-09 | — | — | WO | disclosed |
| US-5691341-A | ANTILEUKEMIA AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |
| US-5464833-A | Anticarcinogenic agents, antiretrovirus agents or autoimmune diseases | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-11-07 | — | — | US | disclosed |
| EP-0623598-A1 | APOPTOSIS REGULATOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-11-09 | — | — | EP | disclosed |
| US-4760064-A | Cardiotonic agent | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-07-26 | — | — | US | disclosed |
| US-4616069-A | REACTING THE ALKALI METAL OR ALKALINE EARTH METAL TERMINATED POLYMER WITH TIN COMPOUND AND ORGANIC COMPOUND HAVING AMIDE OR THIOAMIDE LINKAGES | NIPPON ZEON CO., LTD. (JP) | 1986-10-07 | — | — | US | disclosed |
| EP-0187322-A1 | Carbostyril compounds, compositions containing same and processes for preparing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1986-07-16 | — | — | EP | disclosed |