Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | GRM6 | O15303 | 1/20 | 0.35 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL97166 | 0.84 | MEN1 (0.41) | ADRA1AADRA1BHTTMEN1NPC1 | |
| SCHEMBL347774 | 0.83 | CYP3A4 (0.40) | ADRA1AADRA1BHTTMEN1NPC1 | |
| SCHEMBL30111657 | 0.81 | TSHR (0.50) | ADRA1AADRA1BHTTMEN1NPC1 | |
| SCHEMBL109178 | 0.81 | TSHR (0.50) | ADRA1AADRA1BHTTMEN1NPC1 | |
| Hydrogen Peroxide SCHEMBL29048859 | 0.79 | TSHR (0.48) | ADRA1AADRA1BHTTMEN1NPC1 | |
| SCHEMBL5074597 | 0.77 | CYP3A4 (0.35) | HTTNPC1TSHRALDH1A1HSD17B10 | |
| SCHEMBL20797216 | 0.76 | PDK1 (0.37) | ADRA1AADRA1BMEN1RAB9AKMT2A | |
| SCHEMBL10514026 | 0.74 | TSHR (0.44) | ADRA1AADRA1BHTTMEN1NPC1 | |
| SCHEMBL39310 | 0.74 | LMNA (0.62) | ADRA1AADRA1BHTTKMT2ATSHR | |
| SCHEMBL722115 | 0.74 | ALDH1A1 (0.56) | TSHRALDH1A1HSD17B10TDP1GRM6 |
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-0530579-B1 | Condensed pyrimidine derivatives antitumor agents | EISAI CO LTD (JP) | 1998-11-11 | — | — | EP | disclosed |
| US-5688800-A | ANTITUMOR AGENTS | EISAI CO., LTD. (JP) | 1997-11-18 | — | — | US | disclosed |
| US-5554615-A | ANTITUMOR | EISAI CO., LTD. (JP) | 1996-09-10 | — | — | US | disclosed |
| EP-0530579-A1 | Condensed pyrimidine derivatives antitumor agents | Eisai Co., Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |