Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5406463 | 0.85 | ALDH1A1 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9881695 | 0.82 | CA12 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10299397 | 0.82 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8995835 | 0.80 | CA12 (0.49) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13105884 | 0.80 | GABRA1 (0.46) | CA12CA1CA2CA7CA9 | |
| SCHEMBL27340920 | 0.78 | CA12 (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28045567 | 0.77 | CD44 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6125235 | 0.77 | MAPT (0.50) | ALDH1A1TDP1PTGS2HSD17B10KDM4E | |
| SCHEMBL9833072 | 0.76 | TDP1 (0.45) | ALDH1A1TDP1MAOBSMN1; SMN2TSHR | |
| SCHEMBL501450 | 0.76 | GABRA1 (0.46) | CA12CA1CA2CA7CA9 |
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-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 |