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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL64211 | 0.89 | CHRM2 (0.47) | CHRM2CHRM1ALDH1A1POLBLMNA | |
| SCHEMBL3178617 | 0.88 | CHRM2 (0.46) | CHRM2CHRM1ALDH1A1POLBLMNA | |
| SCHEMBL22345800 | 0.88 | CHRM2 (0.46) | CHRM2CHRM1ALDH1A1POLBLMNA | |
| SCHEMBL348916 | 0.82 | CHRM2 (0.42) | CHRM2CHRM1ALDH1A1POLBLMNA | |
| Hydrochloric Acid SCHEMBL310122 | 0.81 | CHRM2 (0.41) | CHRM2CHRM1ALDH1A1POLBLMNA | |
| Tromethamine SCHEMBL23041034 | 0.76 | ALDH1A1 (0.36) | CHRM2CHRM1ALDH1A1POLBLMNA | |
| Tromethamine SCHEMBL49209 | 0.76 | ALDH1A1 (0.36) | CHRM2CHRM1ALDH1A1POLBLMNA | |
| Tromethamine SCHEMBL6320590 | 0.75 | ALDH1A1 (0.35) | ALDH1A1POLBLMNAHTTKMT2A | |
| SCHEMBL1662667 | 0.74 | CHRM2 (0.34) | CHRM2CHRM1ALDH1A1HTTKMT2A | |
| SCHEMBL1061900 | 0.74 | CHRM2 (0.34) | CHRM2CHRM1ALDH1A1HTTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109789146-A | chemokine receptor modulators and uses thereof | FLX生物公司 | 2019-05-21 | — | — | CN | disclosed |