Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzyl Isothiocyanate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 known ✓ | P35228 | 1/20 | 0.44 |
| ▸ | MIF | P14174 | 10/20 | 0.77 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.77 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.77 |
| ▸ | HPGD | P15428 | 1/20 | 0.77 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.50 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.45 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.45 |
| ▸ | NAAA | Q02083 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Benzyl Isothiocyanate SCHEMBL28948292 | 0.96 | MIF (0.77) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL9397075 | 0.93 | MIF (0.67) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL27789925 | 0.88 | MIF (1.00) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL44145 | 0.88 | MIF (1.00) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL11877620 | 0.86 | MIF (0.80) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL2143472 | 0.86 | MIF (0.95) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL28130423 | 0.86 | MIF (0.95) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Cadaverine Tartrate SCHEMBL14698352 | 0.84 | MIF (0.69) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL8442568 | 0.82 | MIF (0.80) | MIFTRPA1ALDH1A1CYP3A4HPGD | |
| Benzyl Isothiocyanate SCHEMBL28790178 | 0.82 | MIF (0.80) | MIFTRPA1ALDH1A1CYP3A4HPGD |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107531786-A | anti-AXL antagonist antibody | 卑尔根技术锻造股份公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-106573980-A | Anti-axl antibodies | 卑尔根生物股份公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-106573979-A | Anti-axl antibodies | 卑尔根生物股份公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-101614745-A | Regulate the interaction of HGF β chain and C-MET | GENENTECH INC | 2009-12-30 | — | — | CN | disclosed |