Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8562850 | 0.80 | CYP4A11 (0.35) | CA12CA1CA2CA9CA14 | |
| SCHEMBL27647785 | 0.75 | TNF (0.52) | LMNACYP1A2CYP3A4MAOAEP300 | |
| Hydrochloric Acid SCHEMBL27647788 | 0.74 | TNF (0.51) | LMNACYP1A2CYP3A4MAOAEP300 | |
| SCHEMBL8563771 | 0.74 | TLR7 (0.45) | CA12CA1CA2CA9CA14 | |
| Hydrochloric Acid SCHEMBL28896635 | 0.73 | LMNA (0.45) | LMNACYP1A2CYP3A4MAOAHTT | |
| SCHEMBL9001785 | 0.73 | TLR7 (0.44) | CA12CA1CA2CA9CA14 | |
| SCHEMBL18608207 | 0.72 | CA1 (0.63) | LMNACYP1A2CYP3A4MAOAHTT | |
| SCHEMBL8293510 | 0.71 | RARB (0.55) | CYP4A11KMT2AMAPTCYP4F2 | |
| SCHEMBL31688879 | 0.71 | CYP4A11 (0.49) | CA12CA1CA2CA9CA14 | |
| SCHEMBL9046897 | 0.71 | LMNA (0.39) | LMNACYP1A2CYP3A4MAOAKCNJ1 |
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 |