Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.56 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | DPP4 | P27487 | 1/20 | 0.41 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7777502 | 0.82 | ADORA2A (0.57) | ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1 | |
| SCHEMBL7776292 | 0.82 | ADORA2A (0.57) | ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1 | |
| SCHEMBL9133520 | 0.77 | ADORA2A (0.54) | ADORA2AADORA1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL4408835 | 0.73 | ADORA2A (0.60) | ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1 | |
| SCHEMBL7769989 | 0.73 | ADORA2A (0.50) | ADORA2AADORA1DHFRPOLB | |
| SCHEMBL9131047 | 0.72 | ADORA2A (0.41) | ADORA2AADORA1SMN1; SMN2JAK2 | |
| SCHEMBL7777554 | 0.71 | ADORA2A (0.58) | ADORA2AADORA1HPGDKDM4EMAPT | |
| SCHEMBL9134038 | 0.71 | ADORA2A (0.49) | ADORA2AADORA1DHFRPOLB | |
| SCHEMBL27881848 | 0.71 | ADORA2A (0.57) | ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1 | |
| SCHEMBL3678540 | 0.71 | HSP90AA1 (0.58) | ADORA2AADORA1HSP90AA1HSP90AB1ALDH1A1 |
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 |