Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | DNM1 | Q05193 | 9/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | MLNR | O43193 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.35 |
| ▸ | PGR | P06401 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8055309 | 0.95 | LCK (0.50) | HTTDNM1S1PR3LCKFYN | |
| Tetrabuthylammonium SCHEMBL31297150 | 0.87 | LCK (0.43) | S1PR3LCKFYNCA2 | |
| Butane SCHEMBL18192040 | 0.80 | LCK (0.52) | S1PR3LCKFYNCA2KMT2A | |
| Butane SCHEMBL6855826 | 0.80 | LCK (0.52) | S1PR3LCKFYNCA2KMT2A | |
| Butane SCHEMBL6296727 | 0.80 | LCK (0.52) | S1PR3LCKFYNCA2KMT2A | |
| SCHEMBL1704273 | 0.78 | LCK (0.43) | DNM1S1PR3LCKFYNCA2 | |
| SCHEMBL2150494 | 0.77 | HTT (0.47) | HTTDNM1S1PR3HSP90AA1RAD52 | |
| Didecyldimethylammonium SCHEMBL2149720 | 0.77 | HTT (0.47) | HTTDNM1S1PR3HSP90AA1RAD52 | |
| SCHEMBL17180043 | 0.77 | HTT (0.47) | HTTDNM1S1PR3HSP90AA1RAD52 | |
| SCHEMBL28638813 | 0.76 | LCK (0.41) | S1PR3LCKFYNCA2NR1I2 |
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-6140003-A | POLYESTERS AND PIGMENTS | XEROX CORPORATION (US) | 2000-10-31 | — | — | US | disclosed |