Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 3/20 | 0.39 |
| ▸ | RAF1 | P04049 | 3/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.39 |
| ▸ | AKT1 | P31749 | 3/20 | 0.39 |
| ▸ | AKT2 | P31751 | 3/20 | 0.39 |
| ▸ | KDR | P35968 | 3/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3818033 | 0.82 | NPC1 (0.52) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL41190 | 0.76 | RAB9A (0.74) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL11070944 | 0.74 | KDM4E (0.60) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL6631270 | 0.73 | — | — | |
| SCHEMBL29948333 | 0.71 | — | — | |
| SCHEMBL9477342 | 0.71 | — | — | |
| SCHEMBL312449 | 0.71 | — | — | |
| SCHEMBL14677805 | 0.71 | — | — | |
| SCHEMBL935465 | 0.71 | — | — | |
| SCHEMBL29000602 | 0.71 | RAB9A (0.64) | NPC1RAB9AMEN1KMT2AATM |
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 |
|---|---|---|---|---|---|---|---|
| JP-1160981-A | — | — | None | — | — | JP | disclosed |
| JP-H01160981-A | 1,2,3,4-TETRAHYDRO-5-NITRO-PYRIMIDINE DERIVATIVE | BAYER AG | 1989-06-23 | — | — | JP | disclosed |