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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
| ▸ | CA9 | Q16790 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | RRM2 | P31350 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.34 |
| ▸ | CDK2 | P24941 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 SCHEMBL461865 | 0.93 | CA12 (0.42) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL476573 | 0.86 | CA12 (0.60) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL4921793 | 0.80 | CA12 (0.55) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL461866 | 0.77 | CA12 (0.51) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL2820178 | 0.77 | CA12 (0.51) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL5958592 | 0.77 | ALDH1A1 (0.52) | CA12CA1CA2CA9TDP1 | |
| Hydrochloric Acid SCHEMBL10483019 | 0.76 | CA12 (0.50) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL99646 | 0.75 | CA12 (0.65) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL11501100 | 0.71 | CA12 (0.52) | CA12CA1CA2CA9MEN1 | |
| SCHEMBL11115247 | 0.70 | KDM4E (0.64) | CA12CA1CA2CA9MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3723957-A1 | VULCANIZATION COMPOSITION FOR REDUCING ALLERGENIC POTENTIAL AND ELASTOMERIC ARTICLES FORMED THEREWITH | Allegiance Corporation (US) | 2020-10-21 | — | — | EP | disclosed |
| WO-2019118570-A1 | VULCANIZATION COMPOSITION FOR REDUCING ALLERGENIC POTENTIAL AND ELASTOMERIC ARTICLES FORMED THEREWITH | ALLEGIANCE CORPORATION (US) | 2019-06-20 | — | — | WO | disclosed |
| EP-2585289-A1 | VULCANIZATION COMPOSITION HAVING REDUCED ALLERGENIC POTENTIAL | Allegiance Corporation (US) | 2013-05-01 | — | — | EP | disclosed |
| WO-2011163662-A1 | VULCANIZATION COMPOSITION HAVING REDUCED ALLERGENIC POTENTIAL | ALLEGIANCE CORPORATION (US) | 2011-12-29 | — | — | WO | disclosed |
| WO-2011090942-A1 | METHODS FOR PACKAGING AND STERILIZING ELASTOMERIC ARTICLES, AND PACKAGED ELASTOMERIC ARTICLES PRODUCED THEREBY | ALLEGIANCE CORPORATION (US) | 2011-07-28 | — | — | WO | disclosed |