Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4777040 | 0.74 | CA12 (0.45) | ALDH1A1ATMPOLBHTTROCK2 | |
| SCHEMBL7437216 | 0.73 | ALDH1A1 (0.59) | ALDH1A1TDP1ATMPOLBKMT2A | |
| SCHEMBL2701264 | 0.73 | ALDH1A1 (0.55) | ALDH1A1TDP1POLBSLC6A2SLC6A3 | |
| SCHEMBL2321117 | 0.72 | LMNA (0.56) | ALDH1A1TDP1POLBSLC6A2SLC6A3 | |
| SCHEMBL8775653 | 0.72 | LMNA (0.59) | ALDH1A1TDP1POLBSLC6A2SLC6A3 | |
| SCHEMBL234454 | 0.72 | LMNA (0.62) | ALDH1A1TDP1POLBSLC6A2SLC6A3 | |
| SCHEMBL8446295 | 0.71 | SMN1; SMN2 (0.46) | ALDH1A1ATMPOLBKMT2AL3MBTL1 | |
| SCHEMBL10942377 | 0.71 | LMNA (0.59) | TDP1POLBSLC6A2SLC6A3KMT2A | |
| SCHEMBL5845871 | 0.71 | NR4A1 (0.51) | TDP1POLBSLC6A2SLC6A3KMT2A | |
| SCHEMBL9788724 | 0.70 | ALDH1A1 (0.68) | ALDH1A1TDP1POLBSLC6A2SLC6A3 |
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 |