Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 6/20 | 0.36 |
| ▸ | NAAA | Q02083 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL15676609 | 0.80 | ALDH1A1 (0.47) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL7416590 | 0.73 | EPHX1 (0.48) | ALDH1A1ATMHCAR2HPGDEPHX1 | |
| SCHEMBL1116194 | 0.72 | PLA2G2A (0.49) | ALDH1A1TSHRPLA2G2ATDP1 | |
| SCHEMBL8960701 | 0.72 | PLA2G2A (0.42) | HCAR2PLA2G2AEPHX1ACHENAAA | |
| SCHEMBL3179343 | 0.72 | LDHA (0.37) | ALDH1A1LMNATDP1MAPT | |
| SCHEMBL78692 | 0.71 | MEN1 (0.38) | ALDH1A1ATM | |
| SCHEMBL12292606 | 0.71 | SMN1; SMN2 (0.46) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL461365 | 0.71 | ACHE (0.58) | ALDH1A1EPHX1ACHE | |
| SCHEMBL11572977 | 0.71 | ALDH1A1 (0.54) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL11876606 | 0.70 | ALDH1A1 (0.52) | ALDH1A1ATMHCAR2TSHRHPGD |
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-1326840-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE | THE PROCTER & GAMBLE COMPANY (US) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002032874-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR TREATING MULTIDRUG RESISTANCE | THE PROCTER & GAMBLE COMPANY (US) | 2002-04-25 | — | — | WO | disclosed |