Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CPA1 | P15085 | 2/20 | 0.44 |
| ▸ | CPB1 | P15086 | 1/20 | 0.44 |
| ▸ | CPA3 | P15088 | 1/20 | 0.44 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.44 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL8467572 | 0.98 | NPC1 (0.48) | NPC1RAB9ATRPA1TAAR1SLC6A2 | |
| Isobutylbenzene SCHEMBL27855821 | 0.79 | PTGS1 (0.50) | NPC1RAB9ATRPA1TAAR1SLC6A2 | |
| SCHEMBL30598261 | 0.77 | CYP1A2 (0.50) | NPC1RAB9ATRPA1CYP1A2CPA1 | |
| SCHEMBL8728958 | 0.75 | CYP1A2 (0.48) | TRPA1TAAR1CYP1A2CPA1CPB1 | |
| SCHEMBL10914575 | 0.73 | CYP1A2 (0.47) | NPC1RAB9ACYP1A2CPA1CPB1 | |
| SCHEMBL2517901 | 0.73 | CYP1A2 (0.47) | CYP1A2CPA1CPB1CPA3CPB2 | |
| SCHEMBL16836842 | 0.73 | ALPI (0.53) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL3862224 | 0.73 | ALPI (0.53) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| Bromide SCHEMBL6929745 | 0.72 | ALPI (0.52) | TAAR1SLC6A2SIGMAR1MAOASLC6A4 | |
| SCHEMBL28431900 | 0.72 | TRPA1 (0.57) | NPC1RAB9ATRPA1TAAR1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103965511-B | A kind of dialkylphosphinate metal double salt fire retardant and preparation method thereof | 江汉大学 | 2016-09-21 | — | — | CN | disclosed |