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 | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 5/20 | 0.45 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8960585 | 0.89 | KCNA3 (0.52) | FDPSKCNA3NPC1RAB9AL3MBTL1 | |
| SCHEMBL8960602 | 0.88 | KCNA3 (0.50) | FDPSKCNA3NPC1RAB9AL3MBTL1 | |
| SCHEMBL8960557 | 0.86 | KCNA3 (0.48) | FDPSKCNA3NPC1RAB9AL3MBTL1 | |
| SCHEMBL8960357 | 0.86 | KCNA3 (0.48) | FDPSKCNA3NPC1RAB9AL3MBTL1 | |
| Water SCHEMBL8915961 | 0.86 | KCNA3 (0.48) | FDPSKCNA3NPC1RAB9AL3MBTL1 | |
| SCHEMBL8803229 | 0.85 | FDPS (0.55) | FDPSKCNA3NPC1RAB9AL3MBTL1 | |
| SCHEMBL8960624 | 0.83 | FDPS (0.54) | FDPSKCNA3NPC1RAB9AL3MBTL1 | |
| SCHEMBL7026889 | 0.82 | FDPS (0.44) | FDPSKCNA3NPC1RAB9AL3MBTL1 | |
| SCHEMBL8960346 | 0.81 | FDPS (0.43) | FDPSKCNA3NPC1RAB9AL3MBTL1 | |
| SCHEMBL8960536 | 0.81 | FDPS (0.43) | FDPSKCNA3NPC1RAB9AL3MBTL1 |
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 | disclosed |
| EP-0541037-A2 | Squalene synthetase inhibitory composition and use thereof | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1993-05-12 | — | — | EP | disclosed |