Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Butanol. 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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Butanol SCHEMBL7141251 | 1.00 | TSHR (0.62) | TSHRKDM4EHIF1ATP53LMNA | |
| Butanol SCHEMBL18427897 | 0.90 | TSHR (0.67) | TSHRKDM4ETP53LMNABLM | |
| Butanol SCHEMBL28218407 | 0.88 | TSHR (0.62) | TSHRKDM4EHIF1ATP53LMNA | |
| Butanol SCHEMBL28752215 | 0.85 | TSHR (0.59) | TSHRTP53TDP1ALDH1A1 | |
| SCHEMBL7758306 | 0.84 | TSHR (0.39) | TSHRKDM4EHIF1ATP53LMNA | |
| SCHEMBL7704582 | 0.84 | TSHR (0.39) | TSHRKDM4EHIF1ATP53LMNA | |
| Butanol SCHEMBL8022928 | 0.82 | TSHR (0.56) | TSHRTP53HSD17B10TDP1ALDH1A1 | |
| Propylene Glycol SCHEMBL575555 | 0.81 | TDP1 (0.62) | TSHRTP53LMNABLMTDP1 | |
| SCHEMBL9218045 | 0.81 | ALDH1A1 (0.42) | TSHRKDM4EHIF1ATP53LMNA | |
| SCHEMBL4102538 | 0.81 | TSHR (0.37) | TSHRKDM4EHIF1ATP53LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-103570674-A | Preparation method of imatinib mesylate alpha crystal form | ZHEJIANG JIUZHOU PHARM CO LTD | 2014-02-12 | — | — | CN | claimed |
| CN-103570674-A | Preparation method of imatinib mesylate alpha crystal form | ZHEJIANG JIUZHOU PHARM CO LTD | 2014-02-12 | — | — | CN | disclosed |