Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.37 |
| ▸ | CPA1 | P15085 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | GSR | P00390 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27892297 | 0.83 | AAK1 (0.36) | CYP3A4NPSR1AAK1CTSSCTSK | |
| SCHEMBL9833387 | 0.80 | ALDH1A1 (0.41) | ALDH1A1ITGA4ITGB7CTSSCTSK | |
| SCHEMBL28301558 | 0.80 | ADRA2A (0.40) | ALDH1A1KDM4EMAPTNPSR1AAK1 | |
| SCHEMBL27613187 | 0.79 | F10 (0.40) | ALDH1A1CYP3A4KDM4E | |
| SCHEMBL5650824 | 0.79 | ATM (0.38) | KDM4EMAPK1AAK1CTSSCTSK | |
| SCHEMBL27660598 | 0.79 | ATM (0.38) | ALDH1A1KDM4EMAPTNPSR1AAK1 | |
| SCHEMBL5652634 | 0.79 | ATM (0.38) | KDM4EMAPK1AAK1CTSSCTSK | |
| SCHEMBL28040274 | 0.79 | ITGA4 (0.38) | ALDH1A1CYP3A4ITGA4ITGB7CPA1 | |
| SCHEMBL2059438 | 0.78 | ITGA4 (0.42) | ALDH1A1ITGA4ITGB7MAPTNPSR1 | |
| SCHEMBL15630763 | 0.76 | DPP4 (0.43) | ALDH1A1KDM4EMAPTNPSR1AAK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE36718-E | 3-AMINO-1-NITRO-4-PHENYL-2-BUTANOL DERIVATIVES | KANEKA CORPORATION (JP) | 2000-05-30 | — | — | US | claimed |
| US-5616726-A | AN 3-AMINO-1-NITRO-4-PHENYL-2-BUTANOL BY ADDING NITROMETHANE STEREOSELECTIVELY IN THE PRESENCE OF A BASE TO AN OPTICAL ACTIVE AMINOALDEHYDE; CHEMICAL INTERMEDIATES FOR DRUGS; E.G. THE ANTICARCINOGENIC AGENT, BESTATIN | KANEKA CORPORATION (JP) | 1997-04-01 | — | — | US | claimed |
| EP-0657415-A1 | OPTICALLY ACTIVE AMINO ALCOHOL DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | KANEKA CORPORATION (JP) | 1995-06-14 | — | — | EP | claimed |