Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.40 |
| ▸ | RUNX1 | Q01196 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8315603 | 0.86 | CBFB (0.42) | RUNX1GRM5BACE1SCN9ACTSD | |
| SCHEMBL8316488 | 0.84 | PDE10A (0.40) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL8315486 | 0.84 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL8315585 | 0.83 | ADRA1A (0.40) | NPC1RAB9ASMN1; SMN2KDM4EMAPT | |
| SCHEMBL8312863 | 0.83 | MAPT (0.39) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL8314584 | 0.83 | FABP6 (0.37) | RAB9AMAPTNPY5RCYP19A1GRM5 | |
| SCHEMBL8316184 | 0.82 | KDM4E (0.37) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL8310381 | 0.82 | HTR2B (0.40) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL8312053 | 0.81 | TGFBR1 (0.38) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL8314548 | 0.81 | NPC1 (0.35) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 |
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-0626954-B1 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1999-03-17 | — | — | EP | disclosed |
| US-5602152-A | POTASSIUM CHANNEL MODULATOR | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-02-11 | — | — | US | disclosed |
| WO-1994013658-A2 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1994-06-23 | — | — | WO | disclosed |