Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | HBB | P68871 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.32 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
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 SCHEMBL7040967 | 0.81 | SPHK2 (0.52) | SPHK2SPHK1F2 | |
| SCHEMBL2818271 | 0.81 | KMT2A (0.48) | ALDH1A1MEN1LMNABLMHBB | |
| SCHEMBL11879024 | 0.79 | ALDH1A1 (0.50) | ALDH1A1MEN1LMNABLMHBB | |
| SCHEMBL719096 | 0.74 | ALDH1A1 (0.67) | ALDH1A1MEN1LMNABLMHBB | |
| SCHEMBL7851689 | 0.74 | SPHK2 (0.67) | SPHK2SPHK1LMNAF2 | |
| SCHEMBL530227 | 0.73 | — | — | |
| SCHEMBL9680510 | 0.71 | ALDH1A1 (0.52) | ALDH1A1MEN1LMNABLMHBB | |
| SCHEMBL5249440 | 0.71 | LMNA (0.68) | ALDH1A1MEN1LMNABLMHBB | |
| Nitric Acid SCHEMBL9701171 | 0.71 | SPHK2 (0.58) | ALDH1A1SPHK2SPHK1 | |
| SCHEMBL23668354 | 0.71 | SPHK2 (0.72) | ALDH1A1SPHK2SPHK1MEN1LMNA |
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-1012165-A1 | PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N- 1- 3- (AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE | Aventis Pharmaceuticals Inc. (US) | 2000-06-28 | — | — | EP | disclosed |
| US-5739354-A | ONE-STEP GUANYLATION OF 9,6-DIAMINO-5-HYDROXY-4,4-DIFLUORONONANE OR SALT; SIMPLIFICATION, HIGH YIELD END PRODUCT | HOECHST MARION ROUSSEL, INC. (US) | 1998-04-14 | — | — | US | disclosed |
| WO-1997035874-A1 | PROCESS FOR THE PREPARATION OF N-METHYL-D-PHENYLALANYL-N-[1-[3-[(AMINOIMINOMETHYL)AMINO]PROPYL]-3,3-DIFLUORO-2-OXOHEXYL]-L-PROLINAMIDE | HOECHST MARION ROUSSEL, INC. (US) | 1997-10-02 | — | — | WO | disclosed |