Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTR5A | P47898 | 5/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | TDP2 | O95551 | 1/20 | 0.33 |
| ▸ | NSD2 | O96028 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | AKT2 | P31751 | 1/20 | 0.32 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10198725 | 0.78 | HTR5A (0.53) | TSHRHTR5ANOS3NOS2PAX8 | |
| SCHEMBL15313038 | 0.67 | TDP2 (0.52) | TSHRNOS3NOS2TDP2NSD2 | |
| SCHEMBL8267504 | 0.64 | TSHR (0.52) | TSHRHTR5A | |
| SCHEMBL9949264 | 0.64 | HTR5A (0.51) | TSHRHTR5ANOS3NOS2NOS1 | |
| SCHEMBL30238157 | 0.63 | TDP2 (0.44) | TSHRNOS3NOS2TDP2NSD2 | |
| SCHEMBL3215787 | 0.63 | TDP2 (0.44) | TSHRNOS3NOS2TDP2NSD2 | |
| SCHEMBL10158893 | 0.61 | — | — | |
| SCHEMBL8269241 | 0.60 | TSHR (0.52) | TSHRHTR5ANOS3NOS2POLB | |
| SCHEMBL4014088 | 0.58 | TDP2 (0.45) | TDP2NSD2HSP90AA1PAX8AKT1 | |
| SCHEMBL9854240 | 0.58 | TDP2 (0.44) | TSHRNOS3NOS2TDP2NSD2 |
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-2005032490-A2 | CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-04-14 | — | — | WO | disclosed |