Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | DRD5 | P21918 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | XBP1 | P17861 | 2/20 | 0.34 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.34 |
| ▸ | METTL14 | Q9HCE5 | 1/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3267572 | 0.74 | — | — | |
| SCHEMBL6336267 | 0.71 | KDM4E (0.58) | KDM4EHSD17B10ACHECYP2D6DRD1 | |
| SCHEMBL30390377 | 0.71 | KDM4E (0.58) | KDM4EHSD17B10ACHECYP2D6DRD1 | |
| SCHEMBL16400955 | 0.70 | SRD5A1 (0.49) | ALDH1A1TDP1 | |
| SCHEMBL3268773 | 0.68 | F7 (0.44) | ALDH1A1TDP1 | |
| SCHEMBL3272388 | 0.68 | CYP11B2 (0.42) | — | |
| SCHEMBL21122868 | 0.68 | PARP10 (0.44) | ALDH1A1TDP1ACHEMIF | |
| SCHEMBL3267546 | 0.68 | SRD5A1 (0.46) | ALDH1A1TDP1 | |
| SCHEMBL1243316 | 0.65 | KDM4E (0.54) | KDM4EALDH1A1HSD17B10ACHECYP2D6 | |
| SCHEMBL1243457 | 0.65 | KDM4E (0.54) | KDM4EALDH1A1TDP1ACHECYP2D6 |
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 4 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 |
| 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 |