Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TACR3 | P29371 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7444364 | 0.86 | MAPT (0.40) | EPHX2SLC6A2SLC6A4SLC6A3ALDH1A1 | |
| SCHEMBL2660987 | 0.80 | PTGDR2 (0.34) | ALDH1A1PTGDR2MAPTGLAHPGD | |
| SCHEMBL9132564 | 0.78 | SCN1A (0.41) | NPC1RAB9AEPHX2CYP2D6ALDH1A1 | |
| SCHEMBL7432687 | 0.77 | NPC1 (0.40) | NPC1RAB9AEPHX2ALDH1A1POLB | |
| SCHEMBL9132554 | 0.74 | NPC1 (0.44) | NPC1RAB9AEPHX2KCNH2ALDH1A1 | |
| SCHEMBL7435589 | 0.74 | NAPRT (0.46) | EPHX2ALDH1A1POLBSIGMAR1KDM4E | |
| SCHEMBL7441986 | 0.73 | ALDH1A1 (0.40) | EPHX2CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL8059347 | 0.71 | NPC1 (0.54) | NPC1RAB9AEPHX2ALDH1A1POLB | |
| SCHEMBL7432560 | 0.71 | NR1H4 (0.36) | NPC1RAB9AEPHX2SLC6A2ALDH1A1 | |
| SCHEMBL7427062 | 0.70 | SIGMAR1 (0.36) | EPHX2SLC6A2SLC6A4SLC6A3ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5491149-A | VIRICIDES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-02-13 | — | — | US | disclosed |