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 | |
|---|---|---|---|---|
| ▸ | MCL1 known ✓ | Q07820 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL581278 | 0.86 | MAPT (0.52) | CA2CA12CA7CA14MCL1 | |
| Hydrochloric Acid SCHEMBL7638290 | 0.84 | MAPT (0.56) | CA2CA12CA7CA14MCL1 | |
| N-Benzylmethylamine SCHEMBL28264218 | 0.80 | KDM4E (0.71) | CA2CA12CA7CA14CA1 | |
| Propene SCHEMBL11507987 | 0.79 | KDM4E (0.47) | MCL1KDM4ECYP3A4MAPTTSHR | |
| N-Benzylmethylamine SCHEMBL28152405 | 0.76 | CYP3A4 (0.71) | CA2CA12CA7CA14CA1 | |
| SCHEMBL7168830 | 0.75 | LOXL2 (0.46) | MCL1KDM4ECYP3A4MAPTPOLB | |
| Diphenylmethane SCHEMBL9244248 | 0.73 | CALM1 (0.60) | CA2CA12CA7CA14CA1 | |
| Water SCHEMBL3952740 | 0.72 | CA12 (0.65) | CA2CA12CA7CA14CA1 | |
| SCHEMBL8985165 | 0.71 | KMT2A (0.46) | KDM4ECYP3A4MAPTCYP1A2ATM | |
| Ethylbenzene SCHEMBL8824343 | 0.71 | TP53 (0.67) | CA2CA12CA7CA14CA1 |
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-1086074-B1 | NEW PROCESS | ASTRAZENECA AB (SE) | 2004-04-07 | — | — | EP | disclosed |
| US-6284913-B1 | Selective hydrogenation of a C3-C5 alkyl alchol | ASTRAZENECA AB (SE) | 2001-09-04 | — | — | US | disclosed |