Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.59 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.59 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.47 |
| ▸ | DHFR | P00374 | 3/20 | 0.45 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7774800 | 0.84 | ADORA2A (0.56) | ADORA2AADORA1ADORA2BMAP4K4DHFR | |
| SCHEMBL7777639 | 0.84 | ADORA2A (0.55) | ADORA2AADORA1ADORA2BDPP4 | |
| SCHEMBL7777633 | 0.84 | ADORA2A (0.56) | ADORA2AADORA1ADORA2BMAP4K4DHFR | |
| SCHEMBL7777571 | 0.83 | ADORA2A (0.50) | ADORA2AADORA1ADORA2B | |
| SCHEMBL7777497 | 0.81 | ADORA2A (0.58) | ADORA2AADORA1ADORA2BDPP4 | |
| SCHEMBL7777542 | 0.79 | LMNA (0.50) | — | |
| SCHEMBL7777624 | 0.76 | KDM4E (0.48) | ADORA2AADORA1ADORA2BDHFRBACE1 | |
| SCHEMBL12137855 | 0.75 | DHFR (0.56) | ADORA2AADORA1ADORA2BMAP4K4DHFR | |
| SCHEMBL4418415 | 0.74 | ADORA2A (0.59) | ADORA2AADORA1ADORA2BMAP4K4DHFR | |
| SCHEMBL8995844 | 0.72 | MAP4K4 (0.52) | ADORA2AADORA1ADORA2BMAP4K4DHFR |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2001505911-A | — | — | 2001-05-08 | — | — | JP | claimed |
| EP-0948331-A2 | METHOD FOR TREATING MULTIPLE SCLEROSIS | PHARMACIA & UPJOHN COMPANY (US) | 1999-10-13 | — | — | EP | claimed |
| WO-1998025596-A2 | USE OF A 6-ARYL PYRIMIDINE COMPOUND FOR TREATING MULTIPLE SCLEROSIS | PHARMACIA & UPJOHN COMPANY (US) | 1998-06-18 | — | — | WO | claimed |
| US-5434157-A | Active against herpes, hepatitis, papovavirus | THE UPJOHN COMPANY (US) | 1995-07-18 | — | — | US | claimed |
| EP-0948331-A2 | METHOD FOR TREATING MULTIPLE SCLEROSIS | PHARMACIA & UPJOHN COMPANY (US) | 1999-10-13 | — | — | EP | disclosed |
| WO-1998025596-A2 | USE OF A 6-ARYL PYRIMIDINE COMPOUND FOR TREATING MULTIPLE SCLEROSIS | PHARMACIA & UPJOHN COMPANY (US) | 1998-06-18 | — | — | WO | disclosed |
| US-5554617-A | Method for treating cancer with 6-aryl pyrimidine compounds | THE UPJOHN COMPANY (US) | 1996-09-10 | — | — | US | disclosed |
| US-5434157-A | Active against herpes, hepatitis, papovavirus | THE UPJOHN COMPANY (US) | 1995-07-18 | — | — | US | disclosed |
| US-5002951-A | 2-amino-5-halo-4-pyrimidinol for bactericides and antiprotozoa agent | THE UPJOHN COMPANY (US) | 1991-03-26 | — | — | US | disclosed |
| US-4665077-A | IMMUNOREGULATORY AGENTS | THE UPJOHN COMPANY (US) | 1987-05-12 | — | — | US | disclosed |
| US-4619933-A | 6-aryl pyrimidines for treating aplastic anemia | THE UPJOHN COMPANY (US) | 1986-10-28 | — | — | US | disclosed |
| US-4543248-A | Method for immunoregulation with 6-aryl pyrimidine compounds | THE UPJOHN COMPANY (US) | 1985-09-24 | — | — | US | disclosed |
| US-4507302-A | Method for treating arthritis with 6-aryl pyrimidine compounds | THE UPJOHN COMPANY (US) | 1985-03-26 | — | — | US | disclosed |