Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL4211209 | 0.78 | KMT2A (0.43) | ALDH1A1NAPRTCYP3A4CYP1A2CYP2C19 | |
| SCHEMBL9215228 | 0.77 | POLB (0.50) | ALDH1A1CYP3A4CYP1A2CYP2D6HIF1A | |
| SCHEMBL3284888 | 0.75 | ALDH1A1 (0.59) | ALDH1A1NAPRTCYP3A4CYP1A2CYP2C19 | |
| SCHEMBL13847309 | 0.74 | RECQL (0.37) | ALDH1A1KMT2A | |
| SCHEMBL282988 | 0.73 | ALDH1A1 (0.44) | ALDH1A1NAPRTCYP3A4CYP1A2CYP2C19 | |
| SCHEMBL160934 | 0.72 | CYP3A4 (0.48) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2C9 | |
| SCHEMBL8272442 | 0.71 | ALDH1A1 (0.43) | ALDH1A1NAPRTCYP3A4CYP1A2CYP2C19 | |
| SCHEMBL4514910 | 0.71 | CYP2D6 (0.56) | ALDH1A1NAPRTCYP3A4CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL27786828 | 0.70 | ALDH1A1 (0.41) | ALDH1A1NAPRTCYP3A4CYP1A2CYP2C19 | |
| SCHEMBL10752417 | 0.68 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP1A2CYP2C19CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0388528-B1 | Carboximidamide derivatives | KIRIN BREWERY (JP) | 1995-09-27 | — | — | EP | disclosed |
| US-5272164-A | Carboximidamide derivatives | KIRIN BEER KABUSHIKI KAISHA (JP) | 1993-12-21 | — | — | US | disclosed |
| US-5223508-A | Hypotensive agents, vasodilators | KIRIN BEER KABUSHIKI KAISHA (JP) | 1993-06-29 | — | — | US | disclosed |
| US-5166347-A | Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants | KIRIN BEER KABUSHIKI KAISHA (JP) | 1992-11-24 | — | — | US | disclosed |
| EP-0388528-A2 | Carboximidamide derivatives | KIRIN BEER KABUSHIKI KAISHA (JP) | 1990-09-26 | — | — | EP | disclosed |