Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 5/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | TDO2 | P48775 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | F13A1 | P00488 | 1/20 | 0.32 |
| ▸ | TGM2 | P21980 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| SCHEMBL3588372 | 0.82 | ALDH1A1 (0.42) | EGFRIDO1ALDH1A1TDO2GAA | |
| SCHEMBL4780423 | 0.82 | ALDH1A1 (0.42) | EGFRIDO1ALDH1A1TDO2GAA | |
| SCHEMBL15597452 | 0.81 | MAPT (0.36) | EGFRIDO1ALDH1A1TDO2GAA | |
| SCHEMBL20594442 | 0.73 | ATM (0.36) | ATMEGFRSRCIDO1LMNA | |
| SCHEMBL19675189 | 0.73 | ALDH1A1 (0.46) | IDO1ALDH1A1TDO2TSHRCYP2C19 | |
| SCHEMBL20588789 | 0.73 | ATM (0.45) | ATMEGFRSRCIDO1LMNA | |
| SCHEMBL3973029 | 0.70 | ATM (0.44) | ATMEGFRSRCIDO1LMNA | |
| SCHEMBL31391726 | 0.65 | HTR5A (0.32) | IDO1 | |
| SCHEMBL8186603 | 0.65 | HDAC3 (0.36) | EGFRIDO1LMNAALDH1A1TDO2 | |
| SCHEMBL13347979 | 0.65 | HDAC3 (0.36) | EGFRIDO1LMNAALDH1A1TDO2 |
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-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 |