Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Azetidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | APLNR | P35414 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Azetidine SCHEMBL29252035 | 1.00 | — | — | |
| Pyrrolidine SCHEMBL8652906 | 0.94 | ALDH1A1 (0.47) | CYP3A4LMNAGABRA1TSHRGABRG2 | |
| Pyrrolidine SCHEMBL16666990 | 0.91 | ALDH1A1 (0.44) | CYP3A4LMNAGABRA1TSHRGABRG2 | |
| Piperidine SCHEMBL1581496 | 0.91 | ALDH1A1 (0.53) | CYP3A4LMNAGABRA1TSHRGABRG2 | |
| Piperidine SCHEMBL27398923 | 0.91 | ALDH1A1 (0.53) | CYP3A4LMNAGABRA1TSHRGABRG2 | |
| Aziridine SCHEMBL4605466 | 0.89 | — | — | |
| Piperazine SCHEMBL11121855 | 0.86 | CYP3A4 (0.46) | CYP3A4LMNAGABRA1TSHRGABRG2 | |
| Piperazine SCHEMBL27271 | 0.86 | CYP3A4 (0.46) | CYP3A4LMNAGABRA1TSHRGABRG2 | |
| SCHEMBL2585493 | 0.86 | CYP3A4 (0.46) | CYP3A4LMNAGABRA1TSHRGABRG2 | |
| Sulfuric Acid SCHEMBL7741636 | 0.85 | CA5A (0.50) | CYP3A4LMNAGABRA1TSHRGABRG2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1664040-A1 | GYRASE INHIBITORS | PFIZER INC. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005026162-A1 | GYRASE INHIBITORS | PFIZER INC. (US) | 2005-03-24 | — | — | WO | disclosed |