Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Histamine. 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 | |
|---|---|---|---|---|
| ▸ | HRH1 known ✓ | P35367 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.63 |
| ▸ | MAOB | P27338 | 4/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD1 | P21728 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.39 |
| ▸ | DBF4 | Q9UBU7 | 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 | |
|---|---|---|---|---|
| SCHEMBL223834 | 0.88 | BACE1 (0.50) | TAAR1BACE1PNMTAOC3HTR3E | |
| SCHEMBL2105133 | 0.80 | PNMT (0.43) | TAAR1BACE1PNMTDAOCDC7 | |
| Histamine SCHEMBL4340524 | 0.79 | — | — | |
| SCHEMBL148750 | 0.79 | TAAR1 (1.00) | TAAR1MAOBPNMTAOC3HTR3E | |
| SCHEMBL30643998 | 0.79 | TAAR1 (1.00) | TAAR1MAOBPNMTAOC3HTR3E | |
| Hydrochloric Acid SCHEMBL2175082 | 0.78 | TAAR1 (0.96) | TAAR1MAOBPNMTAOC3HTR3E | |
| Hydrochloric Acid SCHEMBL10898373 | 0.78 | TAAR1 (0.96) | TAAR1MAOBPNMTAOC3HTR3E | |
| Iodide SCHEMBL30914654 | 0.78 | TAAR1 (0.96) | TAAR1MAOBPNMTAOC3HTR3E | |
| Bromide SCHEMBL10898852 | 0.78 | TAAR1 (0.96) | TAAR1MAOBPNMTAOC3HTR3E | |
| Hydrochloric Acid SCHEMBL31185455 | 0.78 | TAAR1 (0.96) | TAAR1MAOBPNMTAOC3HTR3E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218343-A4 | PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2003-06-18 | — | — | EP | disclosed |
| EP-1218343-A1 | PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001025203-A1 | PYRIDINE CARBOXAMIDE OR SULFONAMIDE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-04-12 | — | — | WO | disclosed |