Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ADORA2A | P29274 | 13/20 | 0.53 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 13/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL26708031 | 0.86 | KDM4E (0.61) | XDHKDM4EALDH1A1LMNAGLA | |
| SCHEMBL24309361 | 0.82 | ADORA2A (0.57) | XDHKDM4EALDH1A1LMNAGLA | |
| SCHEMBL10567682 | 0.81 | XDH (0.51) | XDHKDM4EALDH1A1LMNAGLA | |
| SCHEMBL11145225 | 0.81 | XDH (0.51) | XDHKDM4EALDH1A1LMNAGLA | |
| SCHEMBL10564429 | 0.81 | ADORA2A (0.50) | XDHKDM4EALDH1A1LMNAGLA | |
| SCHEMBL29541280 | 0.81 | ADORA2A (0.53) | XDHKDM4EALDH1A1LMNAGLA | |
| SCHEMBL10567530 | 0.81 | ADORA2A (0.53) | XDHKDM4EALDH1A1LMNAGLA | |
| SCHEMBL7777571 | 0.81 | ADORA2A (0.50) | XDHKDM4EALDH1A1LMNAGLA | |
| SCHEMBL11154581 | 0.78 | ADORA2A (0.47) | KDM4EALDH1A1LMNAGLAHPGD | |
| SCHEMBL11806206 | 0.77 | KDM4E (0.52) | XDHKDM4EALDH1A1LMNAGLA |
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 |
|---|---|---|---|---|---|---|---|
| US-4795812-A | ANTITUMOR | THE UPJOHN COMPANY (US) | 1989-01-03 | — | — | US | claimed |
| US-4795812-A | ANTITUMOR | THE UPJOHN COMPANY (US) | 1989-01-03 | — | — | US | disclosed |
| EP-0210228-A1 | 4-SUBSTITUTED-6-ARYL PYRIMIDINE COMPOUNDS | THE UPJOHN COMPANY (US) | 1987-02-04 | — | — | EP | disclosed |
| WO-1986004583-A1 | 4-SUBSTITUTED-6-ARYL PYRIMIDINE COMPOUNDS | THE UPJOHN COMPANY (US) | 1986-08-14 | — | — | WO | disclosed |