Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | NQO2 | P16083 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | GPR3 | P46089 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29613251 | 0.81 | CYP3A4 (0.56) | RAB9ANPC1KDM4EALDH1A1LMNA | |
| SCHEMBL6631633 | 0.81 | RAD52 (0.53) | PDGFRBPDGFRAPDPK1EGFR | |
| SCHEMBL12473666 | 0.80 | CYP1A2 (0.69) | RAB9ANPC1KDM4EALDH1A1LMNA | |
| SCHEMBL12277720 | 0.80 | CYP1A2 (0.69) | RAB9ANPC1KDM4EALDH1A1LMNA | |
| SCHEMBL28988465 | 0.80 | KDM4E (0.56) | RAB9ANPC1KDM4EALDH1A1LMNA | |
| SCHEMBL29827472 | 0.78 | GPR3 (0.69) | RAB9ANPC1KDM4EALDH1A1LMNA | |
| SCHEMBL9040087 | 0.78 | CYP1A2 (0.72) | RAB9ANPC1KDM4EALDH1A1LMNA | |
| SCHEMBL241476 | 0.78 | GPR3 (0.69) | RAB9ANPC1KDM4EALDH1A1LMNA | |
| Phenanthridine SCHEMBL28424979 | 0.78 | KDM4E (0.51) | RAB9ANPC1KDM4EALDH1A1LMNA | |
| SCHEMBL3137389 | 0.78 | CYP2A6 (0.62) | RAB9ANPC1KDM4EALDH1A1LMNA |
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 | 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 |
| EP-1042294-B1 | HETEROCYCLIC CYTOTOXIC AGENTS | UNIV RUTGERS (US) | 2004-08-11 | — | — | EP | disclosed |