Nicotyrine

Nicotyrine

SCHEMBL2996756

Cn1cccc1-c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 1.00
ALDH1A1 P00352 3/20 1.00
CYP2A13 Q16696 1/20 1.00
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
HSD17B10 Q99714 2/20 0.53
CYP2D6 P10635 2/20 0.53
HK1 P19367 1/20 0.53
HKDC1 Q2TB90 1/20 0.53
HIF1A Q16665 1/20 0.53
CYP2E1 P05181 1/20 0.46
CYP2B6 P20813 1/20 0.46
PCSK9 Q8NBP7 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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.

Compoundsimilaritytop predictedshared targets
Nicotyrine SCHEMBL29398389 1.00 CYP2A6 (1.00) CYP2A6ALDH1A1CYP2A13CYP1A2CYP3A4
SCHEMBL21022692 0.82 CYP2A6 (0.69) CYP2A6ALDH1A1CYP2A13CYP1A2CYP3A4
Nicotyrine SCHEMBL6845683 0.81 ALDH1A1 (0.65) CYP2A6ALDH1A1CYP2A13CYP1A2CYP3A4
Nicotine SCHEMBL11780357 0.79 ALDH1A1 (0.71) CYP2A6ALDH1A1CYP2A13CYP3A4CYP2C19
SCHEMBL2460181 0.78 PPARA (0.64) CYP2A6ALDH1A1CYP2A13HSD17B10SMN1; SMN2
SCHEMBL1133225 0.77 CYP2A6 (0.62) CYP2A6ALDH1A1CYP2A13CYP1A2CYP3A4
SCHEMBL31627317 0.77 CYP2A6 (0.62) CYP2A6ALDH1A1CYP2A13CYP1A2CYP3A4
SCHEMBL29150836 0.76 ALDH1A1 (0.61) CYP2A6ALDH1A1CYP2A13CYP1A2CYP3A4
SCHEMBL30577111 0.75 CYP2A6 (0.60) CYP2A6ALDH1A1CYP2A13CYP1A2CYP3A4
SCHEMBL6444709 0.74 PCSK9 (0.73) CYP2A6ALDH1A1CYP2A13CYP1A2CYP3A4

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897440-A Method for screening solvent for extraction of polyvinyl chloride, method for recycling waste material, recycled polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
CN-117897439-A Method for screening solvent for extraction of polyvinyl chloride, method for recovering waste material, and recovered polyvinyl chloride and composition 株式会社LG化学 2024-04-16 CN claimed
WO-2023195790-A1 METHOD FOR MANUFACTURING BIOMATERIAL FOR TISSUE REPAIR WITH EXCELLENT SAFETY ㈜아크로스 2023-10-12 WO claimed
CN-1373169-A Ink composition IND TECHNOLOGY INST (CN) 2002-10-09 CN claimed
US-20020025477-A1 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-02-28 US claimed
EP-1172878-A2 Non-aqueous electrolytic solution and secondary battery containing same MITSUBISHI CHEMICAL CORPORATION (JP) 2002-01-16 EP claimed
US-4065561-A Method of inducing skeletal muscle relaxation GASSEL MYRON MICHAEL 1977-12-27 US claimed
US-20250009006-A1 ORAL PRODUCT ALTRIA CLIENT SERVICES LLC (US) 2025-01-09 US disclosed
US-20240415827-A1 NICOTINE LOZENGE ALTRIA CLIENT SERVICES LLC (US) 2024-12-19 US disclosed
US-12167743-B2 Oral product ALTRIA CLIENT SERVICES LLC (US) 2024-12-17 US disclosed
US-12083110-B2 Nicotine lozenge ALTRIA CLIENT SERVICES LLC (US) 2024-09-10 US disclosed
EP-4001355-B1 ORAL PRODUCT ALTRIA CLIENT SERVICES LLC (US) 2024-08-07 EP disclosed
US-20240246929-A1 PREPARATION METHOD OF L-NICOTINE HUANGGANG ZY BIOTECHNOLOGY CO., LTD. (CN) 2024-07-25 US disclosed
US-4065561-A Method of inducing skeletal muscle relaxation GASSEL MYRON MICHAEL 1977-12-27 US disclosed
US-4065561-A Method of inducing skeletal muscle relaxation GASSEL MYRON MICHAEL 1977-12-27 US disclosed
US-4018926-A Alkyl 4-[o-(substituted methyleneamino)-phenyl]-3-thioallophanate miticides and fungicides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-19 US disclosed
US-4011213-A FUNGICIDES, MITE OVICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-03-08 US disclosed
US-4007258-A Sustained release pesticidal composition UNION CORPORATION (US) 1977-02-08 US disclosed
US-3958007-A FUNGICIDES, MITE OVICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-05-18 US disclosed
US-3950391-A FUNGICIDES, MITICIDES, OVICIDES ADAMS CHARLES D 1976-04-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240246929-A1 PREPARATION METHOD OF L-NICOTINE CHRNA5, CHRNA9, NAPRT CYP2A6 2419/4885ALDH1A1 1351/4885CYP2A13 2430/4885
US-20240415827-A1 NICOTINE LOZENGE MGAM, LCT, MYO1G CYP2A6 1157/4885ALDH1A1 3390/4885CYP2A13 2332/4885
US-12083110-B2 Nicotine lozenge MGAM, LCT, MYO1G CYP2A6 1157/4885ALDH1A1 3390/4885CYP2A13 2332/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.