Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.55 |
| ▸ | HTR6 | P50406 | 2/20 | 0.53 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | LOX | P28300 | 1/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.45 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3241520 | 0.86 | LOX (0.54) | HTR6HDAC1HDAC8LOXCA2 | |
| SCHEMBL13969733 | 0.82 | KMT2A (0.66) | RECQLGFERCA2CA12CA1 | |
| SCHEMBL9815794 | 0.81 | TDP1 (0.54) | HTR6HDAC1HDAC8LOXCA2 | |
| SCHEMBL20436788 | 0.81 | KMT2A (0.65) | RECQLHDAC1HDAC8PSIP1NPC1 | |
| SCHEMBL4082470 | 0.81 | MAPT (0.61) | MAOBMAOAHTR6PRMT1CA2 | |
| SCHEMBL945222 | 0.80 | HDAC1 (0.48) | HTR6HDAC1HDAC8LOXCA2 | |
| SCHEMBL2351953 | 0.79 | KMT2A (0.71) | RECQLHTR6PRMT1CA2CA1 | |
| SCHEMBL1982525 | 0.79 | HDAC1 (0.61) | HDAC1HDAC8CA2CA12CA1 | |
| SCHEMBL10587732 | 0.79 | HDAC1 (0.54) | HDAC1HDAC8CA2GAAMMP12 | |
| SCHEMBL3051021 | 0.78 | SCN3A (0.54) | MAOBRECQLGAANPC1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005103035-A1 | MODIFIED FISCHER INDOLE SYNTHESIS OF ELETRIPTAN | PFIZER LIMITED (GB) | 2005-11-03 | — | — | WO | disclosed |