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 | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 10/20 | 0.56 |
| ▸ | S100B | P04271 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | PSMD14 | O00487 | 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 | |
|---|---|---|---|---|
| Tromethamine SCHEMBL4092735 | 0.86 | S100B (0.54) | S1PR1S100BSMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL10780758 | 0.85 | S1PR1 (0.60) | S1PR1S100BSMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL13741132 | 0.80 | S1PR1 (0.59) | S1PR1S100BSMN1; SMN2TDP1HTT | |
| SCHEMBL10533867 | 0.74 | MAPT (0.56) | S1PR1SMN1; SMN2ALDH1A1TDP1HTT | |
| SCHEMBL17056273 | 0.71 | S1PR1 (1.00) | S1PR1TSHR | |
| SCHEMBL10776285 | 0.71 | S1PR1 (0.62) | S1PR1S100BALDH1A1TDP1KDM4E | |
| SCHEMBL24426114 | 0.70 | S1PR1 (0.58) | S1PR1S100BALDH1A1TDP1KDM4E | |
| SCHEMBL13059005 | 0.70 | S1PR1 (0.51) | S1PR1S100BALDH1A1TDP1KDM4E | |
| SCHEMBL7779135 | 0.70 | ALDH1A1 (0.50) | S1PR1S100BSMN1; SMN2ALDH1A1TDP1 | |
| SCHEMBL170427 | 0.70 | S100B (0.63) | S1PR1S100BALDH1A1TDP1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1765592-A1 | METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR | Agfa Graphics N.V. (BE) | 2007-03-28 | — | — | EP | disclosed |
| WO-2006005688-A1 | METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR. | AGFA-GEVAERT (BE) | 2006-01-19 | — | — | WO | disclosed |