Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
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 | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Butane SCHEMBL3883260 | 0.95 | TP53 (0.41) | TP53PCSK9KDM4EALDH1A1TDP1 | |
| Butane SCHEMBL2218261 | 0.95 | TP53 (0.41) | TP53PCSK9KDM4EALDH1A1TDP1 | |
| Propane SCHEMBL18188066 | 0.92 | TP53 (0.39) | TP53PCSK9KDM4EALDH1A1TDP1 | |
| Butane SCHEMBL28273422 | 0.92 | TP53 (0.39) | TP53PCSK9KDM4EALDH1A1TDP1 | |
| Butane SCHEMBL27467536 | 0.92 | TP53 (0.39) | TP53PCSK9KDM4EALDH1A1TDP1 | |
| Butane SCHEMBL4314183 | 0.92 | TP53 (0.39) | TP53PCSK9KDM4EALDH1A1TDP1 | |
| Propane SCHEMBL797742 | 0.86 | TP53 (0.39) | TP53PCSK9KDM4EALDH1A1TDP1 | |
| Propane SCHEMBL372201 | 0.86 | TP53 (0.43) | TP53PCSK9ALDH1A1TDP1PSIP1 | |
| Ethane SCHEMBL9064310 | 0.86 | TDP1 (0.35) | TP53KDM4EALDH1A1TDP1LMNA | |
| Propane SCHEMBL1423596 | 0.86 | TP53 (0.43) | TP53PCSK9ALDH1A1TDP1PSIP1 |
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-6225318-B1 | 4-aminoquinazolone derivatives | PFIZER INC | 2001-05-01 | — | — | US | disclosed |
| EP-0837063-A1 | 4-Aminoquinazoline derivatives | PFIZER INC. (US) | 1998-04-22 | — | — | EP | disclosed |