Known targets — ChEMBL curated mechanism
DHFRGARTPTGFRPTGIRPTGS1PTGS2TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8envmurAthyA
The experimentally established mechanism targets of Tromethamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 4/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL6583604 | 0.82 | TAAR1 (0.58) | TAAR1TRPA1AOC3RIPK1KDM4E | |
| SCHEMBL2736711 | 0.82 | TAAR1 (0.58) | TAAR1TRPA1AOC3RIPK1KDM4E | |
| SCHEMBL8496598 | 0.81 | TAAR1 (0.50) | TAAR1TRPA1AOC3RIPK1KDM4E | |
| SCHEMBL30750937 | 0.80 | TAAR1 (0.56) | TAAR1TRPA1AOC3RIPK1KDM4E | |
| SCHEMBL28751353 | 0.73 | TAAR1 (0.48) | TAAR1TRPA1AOC3RIPK1LMNA | |
| SCHEMBL21322418 | 0.71 | TAAR1 (0.56) | TAAR1TRPA1AOC3RIPK1KDM4E | |
| SCHEMBL11758612 | 0.71 | GRIA4 (0.50) | TAAR1AOC3 | |
| SCHEMBL536253 | 0.71 | ESR1 (0.41) | TAAR1TRPA1AOC3RIPK1 | |
| SCHEMBL1260 | 0.69 | TRPA1 (0.68) | TAAR1TRPA1AOC3RIPK1KDM4E | |
| SCHEMBL61000 | 0.69 | TRPA1 (0.68) | TAAR1TRPA1AOC3RIPK1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0088218-B1 | PREPARATION OF TERTIARY ALKYL ISOCYANATES | AMERICAN CYANAMID COMPANY (US) | 1985-05-08 | — | — | EP | claimed |