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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | FDPS | P14324 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8914502 | 0.89 | FDPS (0.38) | POLBFDPSALDH1A1MEN1CYP1A2 | |
| SCHEMBL8914490 | 0.83 | FDPS (0.34) | POLBFDPSALDH1A1MEN1CYP1A2 | |
| Tromethamine SCHEMBL8916083 | 0.82 | FDPS (0.46) | FDPSALDH1A1MEN1CYP1A2CYP2D6 | |
| Water SCHEMBL9081190 | 0.75 | ALDH1A1 (0.37) | POLBALDH1A1MEN1CYP1A2CYP2D6 | |
| Water SCHEMBL9081197 | 0.75 | ALDH1A1 (0.37) | POLBALDH1A1MEN1CYP1A2CYP2D6 | |
| Water SCHEMBL9230046 | 0.74 | ALDH1A1 (0.46) | POLBFDPSALDH1A1MEN1KMT2A | |
| SCHEMBL9082027 | 0.74 | ALDH1A1 (0.46) | POLBFDPSALDH1A1MEN1KMT2A | |
| Water SCHEMBL9273331 | 0.74 | ALDH1A1 (0.46) | POLBFDPSALDH1A1MEN1KMT2A | |
| SCHEMBL7165669 | 0.74 | ALDH1A1 (0.48) | POLBFDPSALDH1A1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9082954 | 0.73 | ALDH1A1 (0.47) | POLBFDPSALDH1A1MEN1KMT2A |
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-5624917-A | Method of inhibiting squalene synthetase | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-04-29 | — | — | US | claimed |
| EP-0541037-A2 | Squalene synthetase inhibitory composition and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-05-12 | — | — | EP | claimed |