Known targets — ChEMBL curated mechanism
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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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.34 |
| ▸ | PSMD14 | O00487 | 2/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 2/20 | 0.34 |
| ▸ | MMP2 | P08253 | 2/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 2/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | RAD52 | P43351 | 1/20 | 0.34 |
| ▸ | SPHK1 | Q9NYA1 | 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 | |
|---|---|---|---|---|
| Butanol SCHEMBL5344990 | 0.97 | ALDH1A1 (0.61) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butanol SCHEMBL6321983 | 0.95 | ALDH1A1 (0.58) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butanol SCHEMBL1259057 | 0.95 | ALDH1A1 (0.65) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butanol SCHEMBL9778184 | 0.95 | ALDH1A1 (0.65) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL1440709 | 0.92 | ALDH1A1 (0.69) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL27759707 | 0.92 | ALDH1A1 (0.69) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butanol SCHEMBL16429589 | 0.90 | ALDH1A1 (0.58) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL5028714 | 0.89 | ALDH1A1 (0.65) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL28078384 | 0.89 | ALDH1A1 (0.65) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 | |
| Butyl Alcohol SCHEMBL5096968 | 0.89 | ALDH1A1 (0.65) | ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-6994745-B2 | Pigment dispersing resin | KANSAI PAINT CO., LTD. (JP) | 2006-02-07 | — | — | US | disclosed |
| US-20030045637-A1 | Pigment dispersing resin | KANSAI PAINT CO., LTD. (JP) | 2003-03-06 | — | — | US | disclosed |