Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Nitric Acid SCHEMBL9218571 | 0.78 | ALDH1A1 (0.42) | ALDH1A1TSHRMAPTCYP1A2CYP3A4 | |
| SCHEMBL7531301 | 0.74 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPTCYP1A2CYP3A4 | |
| SCHEMBL10495741 | 0.71 | MAPT (0.45) | ALDH1A1TSHRMAPTCYP1A2CYP3A4 | |
| SCHEMBL4694927 | 0.70 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPTCYP1A2CYP3A4 | |
| SCHEMBL16781693 | 0.70 | ALDH1A1 (0.56) | ALDH1A1TSHRMAPTCYP1A2CYP3A4 | |
| Nitric Acid SCHEMBL9220102 | 0.70 | GSR (0.47) | ALDH1A1TSHRMAPTCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL30098251 | 0.69 | ALDH1A1 (0.54) | ALDH1A1TSHRMAPTCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL14119652 | 0.69 | ALDH1A1 (0.54) | ALDH1A1TSHRMAPTCYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL19951705 | 0.69 | ALDH1A1 (0.54) | ALDH1A1TSHRMAPTCYP1A2CYP3A4 | |
| SCHEMBL9838307 | 0.69 | GSR (0.58) | ALDH1A1L3MBTL1MEN1KMT2AGSR |
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 4 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 |