Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | NR1I3 | Q14994 | 5/20 | 0.43 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 6/20 | 0.41 |
| ▸ | MMP3 | P08254 | 3/20 | 0.41 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27975122 | 0.79 | MMP8 (0.47) | CA12CA1CA9NR1I3MMP8 | |
| SCHEMBL14904889 | 0.78 | NPC1 (0.47) | CA12CA1CA9NR1I3SLC10A2 | |
| SCHEMBL30476642 | 0.77 | NPC1 (0.53) | CA12CA1CA9NR1I3NPC1 | |
| SCHEMBL19996133 | 0.77 | NPC1 (0.53) | CA12CA1CA9NR1I3NPC1 | |
| SCHEMBL1114945 | 0.76 | RAB9A (0.56) | CA12CA1CA9NR1I3MMP8 | |
| SCHEMBL15985239 | 0.75 | ACHE (0.49) | CA12CA1CA9NR1I3MMP8 | |
| SCHEMBL20809519 | 0.75 | PYGL (0.47) | CA12CA1CA9NR1I3SLC10A2 | |
| SCHEMBL7046627 | 0.74 | CA12 (0.47) | CA12CA1CA9NR1I3MMP8 | |
| SCHEMBL31169451 | 0.74 | NPC1 (0.57) | NR1I3NPC1RAB9A | |
| SCHEMBL13783463 | 0.74 | NPC1 (0.60) | NPC1RAB9A |
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-9890147-B2 | 2,3-benzodiazepines | BAYER PHARMA AKTIENGESELLSHAFT (DE) | 2018-02-13 | — | — | US | disclosed |