Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 2/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | HBB | P68871 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | KDM4A | O75164 | 4/20 | 0.48 |
| ▸ | KDM2A | Q9Y2K7 | 4/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9804611 | 0.86 | NPC1 (0.53) | MAPTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL8812840 | 0.86 | NPC1 (0.53) | MAPTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL8812511 | 0.86 | NPC1 (0.53) | MAPTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL10340968 | 0.86 | NPC1 (0.53) | MAPTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL8812516 | 0.86 | NPC1 (0.53) | MAPTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL10340938 | 0.86 | NPC1 (0.53) | MAPTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL8812843 | 0.86 | NPC1 (0.53) | MAPTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL8811324 | 0.86 | NPC1 (0.53) | MAPTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL10340969 | 0.86 | NPC1 (0.53) | MAPTSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL8811321 | 0.86 | NPC1 (0.53) | MAPTSMN1; SMN2NPC1RAB9AMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0290591-B1 | MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS | MERCK PATENT GmbH (DE) | 1991-03-13 | — | — | EP | disclosed |