Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 5/20 | 0.75 |
| ▸ | CA12 | O43570 | 2/20 | 0.67 |
| ▸ | CA1 | P00915 | 2/20 | 0.67 |
| ▸ | CA2 | P00918 | 2/20 | 0.67 |
| ▸ | CA4 | P22748 | 2/20 | 0.67 |
| ▸ | CA6 | P23280 | 2/20 | 0.67 |
| ▸ | CA7 | P43166 | 2/20 | 0.67 |
| ▸ | CA9 | Q16790 | 2/20 | 0.67 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.67 |
| ▸ | CA3 | P07451 | 1/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.67 |
| ▸ | CA5A | P35218 | 1/20 | 0.67 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.67 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | CNR2 | P34972 | 1/20 | 0.55 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.55 |
| ▸ | TUBB | P07437 | 1/20 | 0.55 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.55 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 | 0.98 | TPMT (0.78) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL9739818 | 0.96 | TPMT (0.75) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL4080846 | 0.96 | TPMT (0.75) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL10838612 | 0.96 | TPMT (0.75) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL9427206 | 0.94 | TPMT (0.72) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL10876063 | 0.88 | TPMT (0.66) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL10876055 | 0.88 | TPMT (0.66) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL6559147 | 0.88 | TPMT (0.71) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL17655663 | 0.88 | TPMT (0.70) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL15673397 | 0.87 | TSHR (0.65) | TPMTCA12CA1CA2CA4 |
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-0160760-A1 | Preparation of trimethoxybenzoate esters and trimethoxybenzoic acid | Mallinckrodt, Inc. (a Delaware corporation) (US) | 1985-11-13 | — | — | EP | disclosed |
| US-4471134-A | Preparation of trimethoxybenzoate esters and trimethoxybenzoic acid | MALLINCKRODT, INC. (US) | 1984-09-11 | — | — | US | disclosed |
| US-4055653-A | Sulfur containing trialkoxybenzoylamino carboxylic acids | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1977-10-25 | — | — | US | disclosed |
| US-4010193-A | (ALKYLAMINO)ALKYL SUBSTITUTED BENZOATES, LOCAL ANESTHETIC, ANTIFIBRILLATORY, ANTIARRHYTHMIAL | CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT (HU) | 1977-03-01 | — | — | US | disclosed |
| US-3981910-A | Sulfur containing trialkoxybenzoylamino carboxylic acids | DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) | 1976-09-21 | — | — | US | disclosed |