Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isobutane. 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 | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 6/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 5/20 | 0.42 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | F12 | P00748 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Isoquinoline SCHEMBL29245878 | 0.83 | MAPT (0.43) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL3464853 | 0.74 | PDPK1 (0.58) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| Isobutane SCHEMBL18604733 | 0.73 | KLKB1 (0.44) | KDM4EHSD17B10PDPK1ALDH1A1HPGD | |
| SCHEMBL2948463 | 0.69 | KDM4E (0.51) | KMT2AMAPTKDM4ENPC1RAB9A | |
| Bicarbonate SCHEMBL17064815 | 0.68 | KLKB1 (0.46) | PDPK1 | |
| SCHEMBL1940621 | 0.67 | KDM4E (0.47) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL14008960 | 0.65 | PDPK1 (0.58) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL13483394 | 0.62 | PDPK1 (0.55) | MEN1KMT2AMAPTKDM4ESMN1; SMN2 | |
| SCHEMBL29377365 | 0.62 | PLAU (1.00) | MAPTKDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL49220 | 0.62 | PLAU (1.00) | MAPTKDM4ESMN1; SMN2NPC1RAB9A |
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-113307772-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2021-08-27 | — | — | CN | disclosed |
| CN-106257976-B | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2021-02-02 | — | — | CN | disclosed |