Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 5/20 | 0.61 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | G6PD | P11413 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | CASP6 | P55212 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.43 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14764458 | 0.93 | NQO2 (0.61) | NQO2MAPTPOLBRAB9ANPC1 | |
| SCHEMBL3966324 | 0.87 | NQO2 (0.67) | NQO2MAPTPOLBRAB9ANPC1 | |
| SCHEMBL18387578 | 0.85 | NQO2 (0.69) | NQO2MAPTPOLBRAB9ANPC1 | |
| SCHEMBL3731976 | 0.81 | NQO2 (0.88) | NQO2MAPTPOLBRAB9ANPC1 | |
| SCHEMBL30363708 | 0.81 | NQO2 (0.88) | NQO2MAPTPOLBRAB9ANPC1 | |
| SCHEMBL27897957 | 0.81 | NQO2 (0.62) | NQO2MAPTPOLBRAB9ANPC1 | |
| SCHEMBL13439501 | 0.79 | NQO2 (0.84) | NQO2MAPTPOLBRAB9ANPC1 | |
| SCHEMBL23612611 | 0.79 | NQO2 (0.75) | NQO2MAPTPOLBRAB9ANPC1 | |
| SCHEMBL14764415 | 0.78 | MAPT (0.44) | NQO2MAPTPOLBRAB9ANPC1 | |
| SCHEMBL4181275 | 0.78 | NR1H2 (0.43) | NQO2MAPTNR1H2PDE2APDE10A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014139983-A1 | [1,2,4]TRIAZOLO[4,3-A]QUINOXALINES AS DUAL PDE2/PDE10 INHIBITORS | H. LUNDBECK A/S (DK) | 2014-09-18 | — | — | WO | disclosed |
| WO-2013034758-A1 | SUBSTITUTED TRIAZOLOPYRAZINES AND USES THEREOF | H. LUNDBECK A/S (DK) | 2013-03-14 | — | — | WO | disclosed |