Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 6/20 | 0.59 |
| ▸ | CA2 | P00918 | 6/20 | 0.59 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.59 |
| ▸ | PARP1 | P09874 | 1/20 | 0.59 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.59 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.59 |
| ▸ | CES2 | O00748 | 2/20 | 0.57 |
| ▸ | CES1 | P23141 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9040102 | 1.00 | CA1 (0.59) | CA1CA2PARP10PARP1PARP2 | |
| Hydrochloric Acid SCHEMBL6704589 | 0.98 | CA1 (0.57) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL12453 | 0.83 | CES2 (0.61) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL5217024 | 0.83 | CES2 (0.61) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL2633871 | 0.82 | CES2 (0.59) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL8681157 | 0.81 | ELANE (0.55) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL28222504 | 0.81 | ALDH1A1 (0.62) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL7435602 | 0.81 | CA1 (0.55) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL7870131 | 0.81 | ELANE (0.55) | CA1CA2PARP10PARP1PARP2 | |
| SCHEMBL8233585 | 0.80 | CES2 (0.57) | CA1CA2PARP10PARP1PARP2 |
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-9128108-B2 | Mephedrone detection | Randox Laboratories Limted (GB) | 2015-09-08 | — | — | US | disclosed |
| EP-2442110-B1 | Drug detection | RANDOX LAB LTD (GB) | 2014-03-19 | — | — | EP | disclosed |