Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Trifluoroacetamide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 known ✓ | P35228 | 3/20 | 0.31 |
| ▸ | NOS3 known ✓ | P29474 | 2/20 | 0.31 |
| ▸ | NOS1 known ✓ | P29475 | 2/20 | 0.31 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | LDHB | P07195 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Trifluoroacetamide SCHEMBL27798795 | 1.00 | FFAR3 (0.47) | FFAR3LCKFYNLMNAALOX15 | |
| Trifluoroacetamide SCHEMBL28553648 | 0.90 | LMNA (0.47) | FFAR3LCKFYNLMNAALOX15 | |
| Trifluoroacetamide SCHEMBL767845 | 0.90 | LMNA (0.57) | FFAR3LCKFYNLMNAALOX15 | |
| Trifluoroacetamide SCHEMBL27598858 | 0.86 | — | — | |
| Trifluoroacetamide SCHEMBL7739632 | 0.86 | — | — | |
| Trifluoroacetamide SCHEMBL27678123 | 0.86 | LMNA (0.42) | LMNAALOX15BLMPMP22ACHE | |
| Trifluoroacetamide SCHEMBL142 | 0.86 | — | — | |
| Trifluoroacetamide SCHEMBL7622498 | 0.83 | CES1 (0.43) | LMNABLMPMP22ACHETDP1 | |
| Trifluoroacetamide SCHEMBL5568582 | 0.83 | LDHA (0.44) | LMNAACHETDP1LDHALDHB | |
| Trifluoroacetamide SCHEMBL5567520 | 0.83 | ACHE (0.40) | LMNAACHETDP1LDHALDHB |
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-107849015-B | Benzimidazole derivatives as PAD4 inhibitors | 葛兰素知识产权发展有限公司 | 2021-03-19 | — | — | CN | disclosed |