Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Trientine. 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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.58 |
| ▸ | CA6 | P23280 | 5/20 | 0.58 |
| ▸ | CA7 | P43166 | 5/20 | 0.58 |
| ▸ | CA9 | Q16790 | 5/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.58 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.58 |
| ▸ | CA2 | P00918 | 4/20 | 0.58 |
| ▸ | CA4 | P22748 | 4/20 | 0.58 |
| ▸ | CA5A | P35218 | 4/20 | 0.58 |
| ▸ | CA3 | P07451 | 3/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28891226 | 0.97 | CA12 (0.61) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL1641749 | 0.97 | CA12 (0.61) | CA12CA6CA7CA9CA14 | |
| Trientine SCHEMBL6053124 | 0.97 | CA12 (0.61) | CA12CA6CA7CA9CA14 | |
| Trientine SCHEMBL9319697 | 0.97 | CA12 (0.61) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL6139126 | 0.97 | CA12 (0.56) | CA12CA6CA7CA9CA14 | |
| Trientine SCHEMBL159616 | 0.97 | CA12 (0.61) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL10460074 | 0.97 | CA12 (0.56) | CA12CA6CA7CA9CA14 | |
| Trientine SCHEMBL10875300 | 0.97 | CA12 (0.61) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL20531236 | 0.97 | CA12 (0.61) | CA12CA6CA7CA9CA14 | |
| Acetic Acid SCHEMBL10408733 | 0.97 | CA12 (0.61) | CA12CA6CA7CA9CA14 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111961456-A | Chelating injection-increasing agent for water injection well and preparation method thereof | 中国石油天然气股份有限公司 | 2020-11-20 | — | — | CN | claimed |
| EP-2344736-A1 | METHOD FOR REDUCING NITRIC OXIDE IN THE EXHAUST GAS FLOW OF INTERNAL COMBUSTION ENGINES | MAN Truck & Bus AG (DE) | 2011-07-20 | — | — | EP | claimed |
| WO-2010028775-A1 | METHOD FOR REDUCING NITRIC OXIDE IN THE EXHAUST GAS FLOW OF INTERNAL COMBUSTION ENGINES | MAN NUTZFAHRZEUGE AKTIENGESELLSCHAFT (DE) | 2010-03-18 | — | — | WO | claimed |
| CN-111961456-A | Chelating injection-increasing agent for water injection well and preparation method thereof | 中国石油天然气股份有限公司 | 2020-11-20 | — | — | CN | disclosed |
| US-8114178-B2 | Polishing composition for semiconductor wafer and polishing method | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2012-02-14 | — | — | US | disclosed |
| US-20080311750-A1 | Polishing composition for semiconductor wafer and polishing method | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2008-12-18 | — | — | US | disclosed |