Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 5/20 | 0.54 |
| ▸ | PRKDC | P78527 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | TDP2 | O95551 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | PPP1CA | P62136 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.42 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19305505 | 0.80 | ERN1 (0.53) | ERN1ALDH1A1MAPTHPGDSAE1 | |
| SCHEMBL8153548 | 0.79 | ERN1 (0.45) | ERN1ALDH1A1MAPTKDM4ERAD52 | |
| SCHEMBL6618916 | 0.78 | PRKDC (0.41) | ERN1PRKDCALDH1A1MAPTSAE1 | |
| SCHEMBL6618920 | 0.78 | ALDH1A1 (0.42) | ERN1PRKDCALDH1A1MAPTL3MBTL1 | |
| SCHEMBL28948932 | 0.76 | TUBB4A (0.46) | ERN1PRKDCALDH1A1MAPTHPGD | |
| SCHEMBL19305517 | 0.76 | IMPDH2 (0.45) | PRKDCALDH1A1MAPTTSHRCYP3A4 | |
| SCHEMBL21122870 | 0.75 | CYP2A6 (0.42) | ERN1ALDH1A1MAPTSMN1; SMN2HPGD | |
| SCHEMBL28118488 | 0.74 | ALDH1A1 (0.45) | ALDH1A1MAPTHPGDL3MBTL1APAF1 | |
| SCHEMBL16582712 | 0.74 | SLC2A1 (0.44) | ALDH1A1MAPTSMN1; SMN2HPGDL3MBTL1 | |
| SCHEMBL3268893 | 0.74 | ERN1 (0.41) | ERN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1042294-B1 | HETEROCYCLIC CYTOTOXIC AGENTS | UNIV RUTGERS (US) | 2004-08-11 | — | — | EP | disclosed |
| US-6486167-B1 | Heterocyclic cytotoxic agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY | 2002-11-26 | — | — | US | disclosed |
| CN-1286685-A | Heterocyclic cytotoxic agents | UNIV RUTGERS (US) | 2001-03-07 | — | — | CN | disclosed |
| US-6140328-A | FOR TREATING TUMOR | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2000-10-31 | — | — | US | disclosed |
| EP-1042294-A1 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999031067-A1 | HETEROCYCLIC CYTOTOXIC AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 1999-06-24 | — | — | WO | disclosed |