Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | FBP1 | P09467 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | CXCR5 | P32302 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | CCR6 | P51684 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL18412606 | 0.74 | ACHE (0.47) | ACHEHSD17B10TDP1TSHRALDH1A1 | |
| 4-Nitrotoluene SCHEMBL28107258 | 0.74 | ACHE (0.90) | ACHEHSD17B10TDP1TSHRRAB9A | |
| 4-Nitrotoluene SCHEMBL27652894 | 0.74 | ACHE (0.90) | ACHEHSD17B10TDP1TSHRRAB9A | |
| SCHEMBL28579476 | 0.72 | ACHE (0.56) | ACHEHSD17B10TDP1FBP1GAA | |
| 4-Nitrotoluene SCHEMBL2484690 | 0.72 | ACHE (1.00) | ACHEHSD17B10TDP1TSHRRAB9A | |
| 4-Nitrotoluene SCHEMBL73252 | 0.72 | ACHE (1.00) | ACHEHSD17B10TDP1TSHRRAB9A | |
| SCHEMBL2690904 | 0.72 | ACHE (0.56) | ACHEHSD17B10TDP1FBP1GAA | |
| SCHEMBL12163585 | 0.72 | TSHR (0.44) | ACHETDP1GAATSHRRAB9A | |
| 4-Nitrotoluene SCHEMBL9402408 | 0.70 | ACHE (0.95) | ACHEHSD17B10TDP1TSHRRAB9A | |
| 4-Nitrotoluene SCHEMBL6751959 | 0.70 | ACHE (0.95) | ACHEHSD17B10TDP1TSHRRAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |