Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tert-Butylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGIR | P43119 | 13/20 | 0.44 |
| ▸ | PTGDR | Q13258 | 6/20 | 0.44 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.44 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.37 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7111073 | 0.81 | PTGIR (0.49) | PTGIRPTGDRPTGER3PTGER1L3MBTL1 | |
| SCHEMBL7657611 | 0.78 | PTGIR (0.49) | PTGIRPTGDRPTGER3PTGER1L3MBTL1 | |
| SCHEMBL7650685 | 0.78 | PTGIR (0.49) | PTGIRPTGDRPTGER3PTGER1L3MBTL1 | |
| SCHEMBL7104164 | 0.78 | CHRM4 (0.39) | PTGIRPTGDRPTGER3PTGER1L3MBTL1 | |
| SCHEMBL7104169 | 0.78 | ATM (0.39) | PTGIRPTGDRL3MBTL1TDP1 | |
| SCHEMBL7658249 | 0.78 | PTGIR (0.48) | PTGIRPTGDRPTGER3PTGER1L3MBTL1 | |
| SCHEMBL7653485 | 0.78 | PTGIR (0.48) | PTGIRPTGDRPTGER3PTGER1L3MBTL1 | |
| SCHEMBL7653394 | 0.77 | PTGIR (0.46) | PTGIRPTGDRPTGER3PTGER1L3MBTL1 | |
| SCHEMBL7658900 | 0.73 | DDB1 (0.43) | PTGIRPTGDRPTGER3PTGER1L3MBTL1 | |
| SCHEMBL7654170 | 0.73 | PTGIR (0.52) | PTGIRPTGDRPTGER3PTGER1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6335459-B1 | PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION | SYNTEX (U.S.A.) LLC | 2002-01-01 | — | — | US | disclosed |