Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 7/20 | 0.43 |
| ▸ | MAOB | P27338 | 7/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PLK1 | P53350 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.37 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.36 |
| ▸ | BRAF | P15056 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22712771 | 0.90 | PBRM1 (0.42) | MEN1KMT2AADAM17BRAFHTR1A | |
| SCHEMBL7476195 | 0.87 | MAOA (0.43) | MAOAMAOBMEN1MAPK1KMT2A | |
| SCHEMBL13482122 | 0.83 | MAOA (0.43) | MAOAMAOBMEN1MAPK1KMT2A | |
| SCHEMBL27884524 | 0.78 | NOS3 (0.45) | MEN1KMT2ACYP2A6NPC1RAB9A | |
| SCHEMBL430974 | 0.77 | MEN1 (0.44) | MAOAMAOBMEN1MAPK1KMT2A | |
| SCHEMBL7232354 | 0.76 | TSHR (0.41) | MAPK1TSHRBRAFNNMT | |
| SCHEMBL7232357 | 0.76 | TSHR (0.41) | MAPK1TSHRBRAFNNMT | |
| SCHEMBL15464981 | 0.76 | NNMT (0.40) | MEN1KMT2ABRAFHTR1ADRD2 | |
| SCHEMBL15505635 | 0.75 | CYP1A2 (0.39) | MEN1KMT2ANPC1SMN1; SMN2NNMT | |
| SCHEMBL7238336 | 0.74 | NOS3 (0.50) | MAOACYP2A6HTR2ANNMT |
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-6599908-B1 | Potent and selective inhibitors of the protein tyrosine kinases p56lck and p59fyn | CELLTECH R & D LIMITED (GB) | 2003-07-29 | — | — | US | disclosed |
| US-6057329-A | Fused polycyclic 2-aminopyrimidine derivatives | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-05-02 | — | — | US | disclosed |
| EP-0946523-A1 | FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998028281-A1 | FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 1998-07-02 | — | — | WO | disclosed |