Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of N-Methyl Pyrrolidine (Nmp). 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 | |
|---|---|---|---|---|
| ▸ | PAOX | Q6QHF9 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PLG | P00747 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| N-Methyl Pyrrolidine (Nmp) SCHEMBL5468637 | 0.94 | CHRM2 (0.36) | PAOXCYP2D6NFKB1CYP1A2BLM | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL5425502 | 0.84 | CYP1A2 (0.48) | PAOXCYP1A2LMNAKMT2AALDH1A1 | |
| N-Methyl Pyrrolidine (Nmp) SCHEMBL1687141 | 0.82 | CYP1A2 (0.50) | PAOXCYP1A2LMNAKMT2AALDH1A1 | |
| N-Methylpiperidine SCHEMBL28080302 | 0.80 | DNM1 (0.42) | BLMLMNAKMT2AMEN1TSHR | |
| N-Methylpiperidine SCHEMBL3145445 | 0.79 | CYP1A2 (0.48) | PAOXCYP1A2LMNAALDH1A1TDP1 | |
| Putrescine SCHEMBL10589730 | 0.79 | PAOX (0.57) | PAOXCYP2D6NFKB1CYP1A2BLM | |
| N-Methylpiperidine SCHEMBL1050930 | 0.77 | CYP1A2 (0.46) | CYP1A2LMNAKMT2AALDH1A1TDP1 | |
| Putrescine SCHEMBL5447569 | 0.77 | PAOX (0.55) | PAOXCYP2D6NFKB1CYP1A2BLM | |
| Putrescine SCHEMBL31582635 | 0.76 | PAOX (0.60) | PAOXCYP2D6NFKB1CYP1A2BLM | |
| Putrescine SCHEMBL28728589 | 0.76 | PAOX (0.60) | PAOXCYP2D6NFKB1CYP1A2BLM |
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-20070148202-A1 | Food bait comprising a specific attractant for combating tephritidae insects | VALENCIA, UNIVERSIDAD POLITECNICA DE (ES) | 2007-06-28 | — | — | US | disclosed |