Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 4/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | PLAT | P00750 | 1/20 | 0.43 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15235770 | 0.84 | NAMPT (0.40) | NAMPTTSHRNPSR1LMNAMEN1 | |
| SCHEMBL14716260 | 0.82 | TSHR (0.56) | PTPN1TSHRNPSR1LMNAMEN1 | |
| SCHEMBL18837905 | 0.74 | PLK1 (0.63) | TSHRNR1H4HDAC6EPHX2HDAC8 | |
| SCHEMBL4586310 | 0.73 | TSHR (0.60) | PTPN1TSHRNPSR1LMNAMEN1 | |
| SCHEMBL2915005 | 0.70 | TSHR (0.56) | TSHRNPSR1LMNAMEN1KMT2A | |
| SCHEMBL2642122 | 0.69 | PTPN1 (0.67) | PTPN1NAMPTNR1H4MEN1KMT2A | |
| SCHEMBL3641834 | 0.69 | RARB (0.58) | TSHRNR1H4MEN1KMT2AEPHX2 | |
| SCHEMBL20424311 | 0.69 | HDAC6 (0.67) | HDAC6HDAC1HDAC3HDAC8HDAC2 | |
| SCHEMBL1364607 | 0.69 | MPO (0.61) | LMNAPRSS1HDAC6HDAC3EPHX2 | |
| SCHEMBL12440876 | 0.68 | NR1H4 (0.62) | PTPN1NR1H4LMNAMEN1KMT2A |
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-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |