Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 5/20 | 0.35 |
| ▸ | HTR1A | P08908 | 4/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL6678795 | 0.91 | PKM (0.37) | PKMHTTKMT2ARAB9AGAA | |
| SCHEMBL6678709 | 0.90 | DRD2 (0.35) | DRD2HTR1ADRD4DRD3HTT | |
| SCHEMBL6675058 | 0.89 | KMT2A (0.34) | DRD2HTR1ADRD4HTTMEN1 | |
| SCHEMBL6673628 | 0.88 | PKM (0.46) | PKMHTTCYP2C19KMT2ARAB9A | |
| SCHEMBL6675441 | 0.87 | RAB9A (0.36) | DRD2HTR1ADRD4DRD3HTT | |
| SCHEMBL6673642 | 0.86 | THRB (0.37) | DRD2HTR1ADRD4DRD3HTT | |
| SCHEMBL6676096 | 0.86 | KMT2A (0.32) | DRD2HTR1ADRD4HTTMEN1 | |
| SCHEMBL6674452 | 0.85 | HSD17B10 (0.42) | HTTMEN1KMT2APOLBALDH1A1 | |
| SCHEMBL6673300 | 0.84 | MEN1 (0.31) | DRD2HTR1ADRD4HTTMEN1 | |
| SCHEMBL6678502 | 0.84 | DRD4 (0.33) | DRD2HTR1ADRD4HTTMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1424072-A1 | N'-(pyridin-3-yl)-(4-phenylpiperazin-1-yl)-carboxyimidamide and -iminothiolate derivatives for the treatment of tumors | Samjin Pharmaceutical Co., Ltd. (KR) | 2004-06-02 | — | — | EP | disclosed |
| US-6683184-B2 | ANTITUMOR AGENTS | SAMJIN PHARMACEUTICAL CO., LTD. (KR) | 2004-01-27 | — | — | US | disclosed |