Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.51 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.51 |
| ▸ | BAK1 | Q16611 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.46 |
| ▸ | MAPT | P10636 | 7/20 | 0.46 |
| ▸ | HPGD | P15428 | 7/20 | 0.46 |
| ▸ | LMNA | P02545 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | ACHE | P22303 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 4/20 | 0.46 |
| ▸ | BCHE | P06276 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1132076 | 0.88 | TDP1 (0.50) | BCL2L1MCL1BAK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6616039 | 0.86 | TDP1 (0.51) | BCL2L1MCL1BAK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL16125304 | 0.72 | ACHE (0.54) | BCL2L1MCL1BAK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL30878399 | 0.72 | ACHE (0.54) | BCL2L1MCL1BAK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL30425829 | 0.72 | ACHE (0.54) | BCL2L1MCL1BAK1ALDH1A1SMN1; SMN2 | |
| Trisphaeridine SCHEMBL29746387 | 0.71 | KDM4E (0.53) | ALDH1A1SMN1; SMN2MAPTLMNAKDM4E | |
| SCHEMBL17430669 | 0.70 | TDP1 (0.42) | BCL2L1MCL1BAK1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11765501 | 0.69 | KMT2A (0.49) | BCL2L1MCL1BAK1ALDH1A1MAPT | |
| SCHEMBL13017793 | 0.68 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2MAPTHPGDLMNA | |
| SCHEMBL13170174 | 0.68 | BCL2L1 (1.00) | BCL2L1MCL1BAK1ALDH1A1SMN1; SMN2 |
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-1042294-B1 | HETEROCYCLIC CYTOTOXIC AGENTS | UNIV RUTGERS (US) | 2004-08-11 | — | — | EP | claimed |
| US-6486167-B1 | Heterocyclic cytotoxic agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2002-11-26 | — | — | US | claimed |
| US-6140328-A | FOR TREATING TUMOR | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2000-10-31 | — | — | US | claimed |