Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.42 |
| ▸ | BID | P55957 | 3/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27405674 | 0.98 | LMNA (0.55) | CYP3A4LMNAMEN1NR1I2CHRM2 | |
| SCHEMBL28371050 | 0.98 | LMNA (0.55) | CYP3A4LMNAMEN1NR1I2CHRM2 | |
| SCHEMBL6535320 | 0.98 | LMNA (0.55) | CYP3A4LMNAMEN1NR1I2CHRM2 | |
| SCHEMBL2972655 | 0.94 | LMNA (0.50) | CYP3A4LMNAMEN1NR1I2CHRM2 | |
| SCHEMBL29652142 | 0.92 | PLK1 (0.50) | CYP3A4LMNAMEN1NR1I2CHRM2 | |
| SCHEMBL6720660 | 0.92 | PLK1 (0.50) | CYP3A4LMNAMEN1NR1I2CHRM2 | |
| SCHEMBL6013405 | 0.91 | CXCR5 (0.51) | CYP3A4LMNAMEN1NR1I2CHRM2 | |
| SCHEMBL10903924 | 0.90 | CYP3A4 (0.48) | CYP3A4LMNAMEN1NR1I2CHRM2 | |
| SCHEMBL6013408 | 0.90 | LMNA (0.51) | CYP3A4LMNAMEN1NR1I2CHRM2 | |
| SCHEMBL22736732 | 0.90 | BID (0.48) | CYP3A4LMNAMEN1NR1I2CHRM2 |
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-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | claimed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | claimed |
| US-7176242-B2 | N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARMACEUTICALS, INC. (US) | 2007-02-13 | — | — | US | disclosed |