Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.54 |
| ▸ | ACACB | O00763 | 3/20 | 0.51 |
| ▸ | ACACA | Q13085 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20766152 | 0.94 | NQO1 (0.61) | NQO1ACACBACACATDP1TSHR | |
| SCHEMBL17767220 | 0.94 | NQO1 (0.61) | NQO1ACACBACACATDP1TSHR | |
| SCHEMBL8285036 | 0.94 | NQO1 (0.61) | NQO1ACACBACACATDP1TSHR | |
| Hydrochloric Acid SCHEMBL14120656 | 0.92 | NQO1 (0.58) | NQO1ACACBTDP1TSHRPARP10 | |
| Hydrochloric Acid SCHEMBL4935535 | 0.92 | NQO1 (0.58) | NQO1ACACBTDP1TSHRPARP10 | |
| SCHEMBL162942 | 0.85 | ACACB (0.60) | NQO1ACACB | |
| SCHEMBL2692130 | 0.84 | NQO1 (0.58) | NQO1ACACBACACATDP1TSHR | |
| SCHEMBL18417193 | 0.81 | NQO1 (0.82) | NQO1TDP1TSHRKDM4EHSD17B10 | |
| SCHEMBL5833291 | 0.81 | NQO1 (0.82) | NQO1TDP1TSHRKDM4EHSD17B10 | |
| SCHEMBL9155582 | 0.81 | NQO1 (0.82) | NQO1TDP1TSHRKDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012028676-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-08 | — | — | WO | disclosed |