Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetonitrile. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL195728 | 1.00 | — | — | |
| Acetonitrile SCHEMBL2255717 | 1.00 | — | — | |
| Acetonitrile SCHEMBL7327719 | 1.00 | ALDH1A1 (0.55) | ALDH1A1TSHRCA1CA2CA5A | |
| Acetonitrile SCHEMBL1037904 | 1.00 | ALDH1A1 (0.55) | ALDH1A1TSHRCA1CA2CA5A | |
| Acetonitrile SCHEMBL27696068 | 1.00 | — | — | |
| Acetonitrile SCHEMBL2424968 | 0.96 | — | — | |
| Acetonitrile SCHEMBL4864430 | 0.96 | — | — | |
| Acetonitrile SCHEMBL4422203 | 0.96 | — | — | |
| Acetonitrile SCHEMBL5101803 | 0.96 | — | — | |
| Acetonitrile SCHEMBL9044559 | 0.96 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0527184-B1 | PHOSPHORAMIDITE DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF IN THE INCORPORATION OF REPORTER GROUPS ON SYNTHETIC OLIGONUCLEOTIDES | AMERSHAM INT PLC (GB) | 1995-08-02 | — | — | EP | disclosed |
| EP-0527184-A1 | PHOSPHORAMIDITE DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF IN THE INCORPORATION OF REPORTER GROUPS ON SYNTHETIC OLIGONUCLEOTIDES. | AMERSHAM INT PLC (GB) | 1993-02-17 | — | — | EP | disclosed |
| WO-1991017169-A1 | PHOSPHORAMIDITE DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF IN THE INCORPORATION OF REPORTER GROUPS ON SYNTHETIC OLIGONUCLEOTIDES | AMERSHAM INTERNATIONAL PLC (GB) | 1991-11-14 | — | — | WO | disclosed |