Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.60 |
| ▸ | CA2 | P00918 | 3/20 | 0.60 |
| ▸ | CA4 | P22748 | 3/20 | 0.60 |
| ▸ | CA6 | P23280 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11790684 | 0.88 | CA1 (0.57) | CA1CA2CA4CA6KDM4E | |
| SCHEMBL19050078 | 0.86 | CA1 (0.63) | CA1CA2CA4CA6NPC1 | |
| SCHEMBL15874849 | 0.86 | CA1 (0.59) | CA1CA2CA4CA6KDM4E | |
| SCHEMBL7486281 | 0.86 | CA1 (0.59) | CA1CA2CA4CA6KDM4E | |
| SCHEMBL11793897 | 0.86 | CA1 (0.53) | CA1CA2CA4CA6ALDH1A1 | |
| SCHEMBL7493978 | 0.85 | CA1 (0.55) | CA1CA2CA4CA6NPC1 | |
| SCHEMBL8005964 | 0.84 | CA1 (0.54) | CA1CA2CA4CA6NPC1 | |
| SCHEMBL29169547 | 0.82 | CA1 (0.53) | CA1CA2CA4CA6TACR1 | |
| SCHEMBL29169527 | 0.82 | CA1 (0.53) | CA1CA2CA4CA6TACR1 | |
| SCHEMBL7446272 | 0.79 | KDM4E (0.46) | NPC1RAB9AKDM4EALDH1A1MAPT |
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-3937710-A | BENZYL-SUBSTITUTED CYCLOOCTANONES | R. J. REYNOLDS TOBACCO COMPANY (US) | 1976-02-10 | — | — | US | disclosed |