Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11167774 | 1.00 | POLB (0.53) | POLBKMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL10771432 | 0.89 | ALDH1A1 (0.54) | POLBKMT2AMEN1ALDH1A1HPGD | |
| SCHEMBL10472566 | 0.89 | CYP2D6 (0.49) | KMT2AHPGDCYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2571201 | 0.89 | CYP2D6 (0.49) | KMT2AHPGDCYP2C9CYP2C19CYP2D6 | |
| SCHEMBL560468 | 0.89 | CYP2D6 (0.49) | KMT2AHPGDCYP2C9CYP2C19CYP2D6 | |
| SCHEMBL16058107 | 0.83 | TRPA1 (0.51) | KMT2AALDH1A1HPGDCYP2C9CYP2C19 | |
| SCHEMBL10473806 | 0.83 | TRPA1 (0.51) | KMT2AALDH1A1HPGDCYP2C9CYP2C19 | |
| SCHEMBL560219 | 0.83 | TRPA1 (0.51) | KMT2AALDH1A1HPGDCYP2C9CYP2C19 | |
| SCHEMBL4590802 | 0.82 | TRPA1 (0.54) | SIGMAR1MAPT | |
| SCHEMBL10037075 | 0.82 | TRPA1 (0.54) | SIGMAR1MAPT |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0089781-B1 | BICYCLIC BENZO FUSED COMPOUNDS | PFIZER INC. (US) | 1990-08-08 | — | — | EP | disclosed |
| US-4870084-A | ANALGESICS, ANTIDIARRHEALS | PFIZER INC. (US) | 1989-09-26 | — | — | US | disclosed |
| US-4863934-A | Bicyclic benzo fused pyran compounds used for producing analgesia | PFIZER INC. (US) | 1989-09-05 | — | — | US | disclosed |
| US-4841078-A | ANALGESICS | PFIZER INC. (US) | 1989-06-20 | — | — | US | disclosed |
| US-4680404-A | ANALGESICS, TRANQUILIZERS, ANTIEMETICS, DIURETICS, ANTICONVULSANTS | PFIZER INC. (US) | 1987-07-14 | — | — | US | disclosed |
| US-4486428-A | ANALGESICS, ANTIEMETICS | PFIZER INC. (US) | 1984-12-04 | — | — | US | disclosed |
| EP-0089781-A2 | Bicyclic benzo fused compounds | PFIZER INC. (US) | 1983-09-28 | — | — | EP | disclosed |
| US-4386205-A | Resolution of racemic 5-phenyl-2-pentanol | PFIZER INC. (US) | 1983-05-31 | — | — | US | disclosed |
| EP-0078145-A1 | Resolution of racemic 5-phenyl-2-pentanol | PFIZER INC. (US) | 1983-05-04 | — | — | EP | disclosed |
| EP-0009386-B1 | 2,10-DISUBSTITUTED DIBENZO(B,D)PYRANS AND BENZO(C)QUINOLINES AND PHARMACEUTICAL COMPOSITIONS THEREOF | PFIZER INC. (US) | 1982-11-17 | — | — | EP | disclosed |
| US-4243674-A | HYPOTENSIVE AGENTS; ANALGESICS; ANTISECRETORY AGENTS; ANTIBODY INHIBITORS, AND TRANQUILIZERS | PFIZER INC. (US) | 1981-01-06 | — | — | US | disclosed |
| US-4206225-A | ANALGESICS | PFIZER INC. (US) | 1980-06-03 | — | — | US | disclosed |
| EP-0009386-A1 | 2,10-Disubstituted dibenzo(b,d)pyrans and benzo(c)quinolines and pharmaceutical compositions thereof | PFIZER INC. (US) | 1980-04-02 | — | — | EP | disclosed |
| US-4143139-A | ANALGESICS, HYPOTENSIVES, IMMUNOSUPPRESSANTS, TRANQUILIZERS, ANTISECRETORY, ANTI-ANXIETY | PFIZER INC. (US) | 1979-03-06 | — | — | US | disclosed |