Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.77 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.77 |
| ▸ | RAB9A | P51151 | 3/20 | 0.69 |
| ▸ | NPC1 | O15118 | 1/20 | 0.69 |
| ▸ | CA12 | O43570 | 6/20 | 0.66 |
| ▸ | CA9 | Q16790 | 6/20 | 0.66 |
| ▸ | MAPT | P10636 | 6/20 | 0.62 |
| ▸ | MEN1 | O00255 | 5/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.59 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL22331098 | 0.95 | NPSR1 (0.73) | NPSR1MAPK1RAB9ANPC1CA12 | |
| SCHEMBL22331103 | 0.91 | NPSR1 (0.86) | NPSR1MAPK1RAB9ANPC1CA12 | |
| SCHEMBL14133024 | 0.85 | NPSR1 (0.76) | NPSR1MAPK1RAB9ANPC1CA12 | |
| SCHEMBL23928482 | 0.85 | CA12 (0.80) | NPSR1MAPK1RAB9ANPC1CA12 | |
| SCHEMBL14133285 | 0.84 | NPSR1 (0.74) | NPSR1MAPK1RAB9ANPC1CA12 | |
| SCHEMBL23928475 | 0.84 | MAPT (0.73) | NPSR1MAPK1RAB9ANPC1CA12 | |
| SCHEMBL14133580 | 0.82 | CA12 (0.74) | NPSR1MAPK1RAB9ANPC1CA12 | |
| SCHEMBL7967327 | 0.82 | MEN1 (0.67) | RAB9AMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL15750457 | 0.82 | NPC1 (0.51) | NPSR1MAPK1RAB9ANPC1CA12 | |
| SCHEMBL4257667 | 0.82 | ALDH1A1 (0.72) | RAB9AMAPTMEN1KMT2AHTT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6306883-B1 | NOVEL PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING A COMPOUND AND INHIBITING CYTOKINES BY A COMPOUND OF FORMULA (I) AND THE TREATMENT OF CYTOKINES MEDIATED DISEASES, | SMITHKLINE BEECHAM CORPORATION | 2001-10-23 | — | — | US | disclosed |
| US-5998425-A | CYTOKINE ANTAGONIST; ANTIARTHRITIC AGENT | SMITHKLINE BEECHAM CORPORATION (US) | 1999-12-07 | — | — | US | disclosed |