Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | CD74 | P04233 | 1/20 | 0.51 |
| ▸ | MIF | P14174 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | ECE1 | P42892 | 1/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.44 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.43 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6567198 | 0.88 | LOXL2 (0.48) | ALDH1A1RAB9AKMT2AMAPTNPC1 | |
| SCHEMBL6565582 | 0.81 | ALDH1A1 (0.43) | ALDH1A1RAB9AKMT2AMAPTNPC1 | |
| SCHEMBL14133319 | 0.80 | ALDH1A1 (0.64) | ALDH1A1RAB9AKMT2AMAPTNPC1 | |
| SCHEMBL6567252 | 0.80 | MAPT (0.52) | ALDH1A1RAB9AKMT2AMAPTNPC1 | |
| SCHEMBL6568646 | 0.80 | KDM4E (0.61) | ALDH1A1RAB9AKMT2AMAPTNPC1 | |
| SCHEMBL5672278 | 0.79 | HSD17B1 (0.57) | ALDH1A1RAB9AKMT2AMAPTNPC1 | |
| SCHEMBL10373018 | 0.78 | CYP19A1 (0.47) | ALDH1A1RAB9AKMT2AMAPTNPC1 | |
| SCHEMBL6980737 | 0.76 | KMT2A (0.60) | ALDH1A1RAB9AKMT2AMAPTNPC1 | |
| SCHEMBL6568655 | 0.75 | CNR2 (0.50) | ALDH1A1RAB9AKMT2AMAPTNPC1 | |
| SCHEMBL12285070 | 0.74 | MAPT (0.50) | ALDH1A1RAB9AKMT2AMAPTNPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |