Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butanone. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 5/20 | 0.40 |
| ▸ | CES2 | O00748 | 9/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Butanone SCHEMBL1454065 | 0.97 | ALDH1A1 (0.65) | ALDH1A1TDP1SMN1; SMN2LMNAHSD17B10 | |
| Butanone SCHEMBL28064478 | 0.97 | ALDH1A1 (0.65) | ALDH1A1TDP1SMN1; SMN2LMNAHSD17B10 | |
| Butanone SCHEMBL28090230 | 0.94 | ALDH1A1 (0.61) | ALDH1A1TDP1SMN1; SMN2LMNAHSD17B10 | |
| Butanone SCHEMBL27524123 | 0.94 | ALDH1A1 (0.61) | ALDH1A1TDP1SMN1; SMN2LMNAHSD17B10 | |
| Butanone SCHEMBL7611681 | 0.94 | ALDH1A1 (0.61) | ALDH1A1TDP1SMN1; SMN2LMNAHSD17B10 | |
| Heptane SCHEMBL27952429 | 0.92 | ALDH1A1 (0.60) | ALDH1A1TDP1SMN1; SMN2LMNAHSD17B10 | |
| Butanone SCHEMBL16699494 | 0.92 | ALDH1A1 (0.58) | ALDH1A1TDP1SMN1; SMN2LMNAHSD17B10 | |
| 1-Pentanol SCHEMBL3227511 | 0.89 | SMN1; SMN2 (0.67) | ALDH1A1TDP1SMN1; SMN2LMNAHSD17B10 | |
| Butanone SCHEMBL11812300 | 0.88 | ALDH1A1 (0.62) | ALDH1A1TDP1SMN1; SMN2LMNATSHR | |
| Hexane SCHEMBL28612680 | 0.88 | ALDH1A1 (0.62) | ALDH1A1TDP1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0463212-A1 | Imidazo[2,1-b]thiazole compound anti-ulcer agent containing the same | NIKKEN CHEMICALS CO., LTD. (JP) | 1992-01-02 | — | — | EP | disclosed |