Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATIC | P31939 | 2/20 | 0.47 |
| ▸ | DHFR | P00374 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | GART | P22102 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8997175 | 1.00 | ATIC (0.47) | ATICDHFRKDM4EALDH1A1HPGD | |
| SCHEMBL8997164 | 0.95 | DHFR (0.44) | ATICDHFRKDM4EALDH1A1HPGD | |
| SCHEMBL8997156 | 0.95 | DHFR (0.44) | ATICDHFRKDM4EALDH1A1HPGD | |
| SCHEMBL8997237 | 0.88 | DHFR (0.50) | ATICDHFRKDM4EALDH1A1HPGD | |
| SCHEMBL8997230 | 0.88 | DHFR (0.50) | ATICDHFRKDM4EALDH1A1HPGD | |
| SCHEMBL7833230 | 0.87 | ATIC (0.60) | ATICGART | |
| SCHEMBL9383606 | 0.87 | GART (0.56) | ATICDHFRKDM4EALDH1A1HPGD | |
| SCHEMBL9383614 | 0.87 | GART (0.56) | ATICDHFRKDM4EALDH1A1HPGD | |
| SCHEMBL9844782 | 0.85 | KDM4E (0.43) | ATICDHFRKDM4EALDH1A1HPGD | |
| SCHEMBL9844784 | 0.85 | KDM4E (0.43) | ATICDHFRKDM4EALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-4997838-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-05 | — | — | US | claimed |
| EP-0334636-B1 | Pyrrolopyrimidine derivatives, their production and use | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1996-10-23 | — | — | EP | disclosed |
| US-5539113-A | ANTITUMOR AGENTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-07-23 | — | — | US | disclosed |
| US-5296600-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-03-22 | — | — | US | disclosed |
| US-5106974-A | Antitumor and -carcinogenic agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-04-21 | — | — | US | disclosed |
| US-4997838-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-05 | — | — | US | disclosed |