Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Butanal. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | ADH1B | P00325 | 3/20 | 0.50 |
| ▸ | ADH1A | P07327 | 3/20 | 0.50 |
| ▸ | ADH7 | P40394 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ADH1C | P00326 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | ADH4 | P08319 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 2/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Butanal SCHEMBL11169606 | 0.92 | ALDH1A1 (0.71) | ALDH1A1ADH1BADH1AADH7TSHR | |
| Butanal SCHEMBL10448612 | 0.82 | — | — | |
| Butanal SCHEMBL9303364 | 0.82 | ALDH1A1 (1.00) | ALDH1A1ADH1BADH1AADH7TSHR | |
| Butanal SCHEMBL7323870 | 0.82 | — | — | |
| Butanal SCHEMBL597713 | 0.82 | ALDH1A1 (1.00) | ALDH1A1ADH1BADH1AADH7TSHR | |
| Butanal SCHEMBL807 | 0.82 | — | — | |
| Butanal SCHEMBL28746944 | 0.79 | — | — | |
| Butanal SCHEMBL1770015 | 0.79 | — | — | |
| Butanal SCHEMBL11736874 | 0.79 | — | — | |
| Butanal SCHEMBL23854344 | 0.78 | — | — |
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-117136076-A | MCL-1 inhibitor antibody drug conjugates and methods of use | 诺华股份有限公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-116761635-A | BCL-XL inhibitor antibody drug conjugates and methods of use thereof | 诺华股份有限公司 | 2023-09-15 | — | — | CN | disclosed |