Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ATIC | P31939 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8997160 | 1.00 | DHFR (0.48) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8997237 | 0.87 | DHFR (0.50) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9041263 | 0.87 | DHFR (0.50) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9041254 | 0.87 | DHFR (0.50) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9041638 | 0.87 | DHFR (0.48) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8997230 | 0.87 | DHFR (0.50) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9040997 | 0.87 | DHFR (0.48) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9040986 | 0.87 | DHFR (0.48) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9042233 | 0.86 | DHFR (0.54) | DHFRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL9042227 | 0.86 | DHFR (0.54) | DHFRKDM4EALDH1A1HPGDHSD17B10 |
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 7 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 |
| EP-0334636-A2 | Pyrrolopyrimidine derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-09-27 | — | — | EP | disclosed |