Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.44 |
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.36 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL225479 | 0.80 | CA2 (0.58) | KMT2AALDH1A1ALDH5A1ABATKDM4E | |
| SCHEMBL9578370 | 0.78 | ALDH1A1 (0.45) | KMT2AALDH1A1ALDH5A1ABATKDM4E | |
| SCHEMBL414655 | 0.78 | CA2 (0.59) | KMT2AALDH1A1ALDH5A1ABATCYP2A6 | |
| SCHEMBL1755559 | 0.78 | KMT2A (0.49) | KMT2AALDH1A1ALDH5A1ABATKDM4E | |
| SCHEMBL9578364 | 0.78 | KMT2A (0.49) | KMT2AALDH1A1ALDH5A1ABATKDM4E | |
| SCHEMBL28675470 | 0.77 | ALDH1A1 (0.54) | KMT2AALDH1A1ALDH5A1ABATKDM4E | |
| SCHEMBL1125736 | 0.75 | ABCC4 (0.64) | KMT2AALDH1A1HSD17B10NR1H4LMNA | |
| SCHEMBL11212239 | 0.75 | CA2 (0.62) | KMT2AALDH1A1KDM4EHSD17B10LMNA | |
| SCHEMBL4044552 | 0.75 | CA2 (0.62) | KMT2AALDH1A1ABATKDM4ELMNA | |
| SCHEMBL3424224 | 0.75 | PRSS1 (0.43) | LMNATYR |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003095396-A2 | N,N,-SUBSTITUTED S-ARYL-ISOTHIOUREAS, N,N,N'-SUBSTITUTED S-ARYL-ISOTHIOUREAS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (US) | 2003-11-20 | — | — | WO | disclosed |
| EP-1218739-A4 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2003-06-04 | — | — | EP | disclosed |
| EP-1155001-A4 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2003-05-28 | — | — | EP | disclosed |
| EP-1301512-A2 | BICYCLIC HYDANTOIN DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2003-04-16 | — | — | EP | disclosed |
| EP-1218384-A4 | TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2002-11-20 | — | — | EP | disclosed |
| EP-1210598-A4 | 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2002-10-30 | — | — | EP | disclosed |
| EP-1218384-A1 | TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-07-03 | — | — | EP | disclosed |
| EP-1218739-A1 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2002-07-03 | — | — | EP | disclosed |
| EP-1214330-A1 | BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION Bioscience AG (DE) | 2002-06-19 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| WO-2001023887-A1 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-04-05 | — | — | WO | disclosed |
| WO-2001023392-A1 | TETRACYCLIC BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-04-05 | — | — | WO | disclosed |
| WO-2001021634-A1 | BENZIMIDAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-03-29 | — | — | WO | disclosed |
| WO-2001014879-A1 | 4-UNSUBSTITUTED DIHYDROISOQUINOLINONE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-03-01 | — | — | WO | disclosed |
| WO-2001000594-A1 | TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-01-04 | — | — | WO | disclosed |
| WO-2000050406-A1 | ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES | LION BIOSCIENCE AG (DE) | 2000-08-31 | — | — | WO | disclosed |
| WO-2000045635-A1 | THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2000-08-10 | — | — | WO | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |
| WO-1998011438-A1 | SYNTHESIS OF QUINAZOLINONE LIBRARIES AND DERIVATIVES THEREOF | TREGA BIOSCIENCES, INC. (US) | 1998-03-19 | — | — | WO | disclosed |