Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Butane. 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 | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 3/20 | 0.33 |
| ▸ | GABRD | O14764 | 3/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 3/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 3/20 | 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL18094392 | 0.86 | S1PR2 (0.41) | KMT2AS1PR2KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL259723 | 0.78 | — | — | |
| SCHEMBL27465346 | 0.71 | NOS3 (0.45) | KMT2AKDM4EALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL23413330 | 0.69 | LMNA (0.57) | S1PR2 | |
| SCHEMBL31359268 | 0.69 | LMNA (0.57) | S1PR2 | |
| SCHEMBL29983622 | 0.68 | HSP90AA1 (0.43) | KMT2AKDM4EALDH1A1RAB9ASMN1; SMN2 | |
| SCHEMBL2685253 | 0.68 | HSP90AA1 (0.43) | KMT2AKDM4EALDH1A1RAB9ASMN1; SMN2 | |
| Butane SCHEMBL6727426 | 0.68 | TPMT (0.50) | KMT2AKDM4EALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL18839614 | 0.68 | NQO2 (0.39) | KMT2AS1PR2KDM4EALDH1A1 | |
| SCHEMBL24150163 | 0.68 | SCN10A (0.44) | S1PR2RAB9A |
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-3071553-A1 | SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS | PTC Therapeutics, Inc. (US) | 2016-09-28 | — | — | EP | disclosed |
| WO-2015076800-A1 | SUBSTITUTED PYRIDINE AND PYRAZINE BMI-1 INHIBITORS | PTC THERAPEUTICS, INC. (US) | 2015-05-28 | — | — | WO | disclosed |