Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 2/20 | 0.33 |
| ▸ | JAK3 | P52333 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | SMURF2 | Q9HAU4 | 1/20 | 0.32 |
| ▸ | SMURF1 | Q9HCE7 | 1/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.32 |
| ▸ | STAT1 | P42224 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9912402 | 0.83 | JAK3 (0.34) | NPC1RAB9AJAK3NFKB1NFKB2 | |
| SCHEMBL9912388 | 0.79 | SLC6A2 (0.33) | NPC1RAB9AJAK3NFKB1SMURF2 | |
| SCHEMBL878961 | 0.74 | CA1 (0.51) | NPC1RAB9AALDH1A1JAK3SMURF2 | |
| SCHEMBL9612039 | 0.73 | SLC6A2 (0.35) | NPC1RAB9ANFKB1SMN1; SMN2SMURF2 | |
| SCHEMBL11407168 | 0.71 | JAK3 (0.38) | NPC1RAB9ADHODHJAK3NFKB1 | |
| SCHEMBL11283209 | 0.71 | NPC1 (0.43) | NPC1RAB9AALDH1A1JAK3NFKB1 | |
| SCHEMBL11160172 | 0.71 | JAK3 (0.37) | NPC1RAB9AALDH1A1DHODHJAK3 | |
| SCHEMBL11149788 | 0.71 | HDAC3 (0.43) | NPC1RAB9AALDH1A1DHODHJAK3 | |
| Iodide SCHEMBL11277436 | 0.70 | JAK3 (0.38) | NPC1RAB9ADHODHJAK3NFKB1 | |
| SCHEMBL13064244 | 0.68 | CA1 (0.44) | NPC1RAB9AALDH1A1DHODHSMURF2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8198458-B2 | Non-nucleoside reverse transcriptase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-12 | — | — | US | disclosed |
| US-7517998-B2 | Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2009-04-14 | — | — | US | disclosed |