Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.43 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.35 |
| ▸ | CCR2 | P41597 | 4/20 | 0.34 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.31 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2600847 | 0.88 | SIRT1 (0.46) | SIRT1PI4KBCCR2ADRA2BSLC6A4 | |
| SCHEMBL2600849 | 0.88 | SIRT1 (0.46) | SIRT1PI4KBCCR2ADRA2BSLC6A4 | |
| SCHEMBL2600853 | 0.79 | SIRT1 (0.53) | SIRT1CCR2SMN1; SMN2KMT2ANPC1 | |
| SCHEMBL2600852 | 0.79 | SIRT1 (0.53) | SIRT1CCR2SMN1; SMN2KMT2ANPC1 | |
| SCHEMBL2600845 | 0.78 | SIRT1 (0.49) | SIRT1PI4KBCCR2ADRA2BSLC6A4 | |
| SCHEMBL2600851 | 0.76 | SIRT1 (0.46) | SIRT1PI4KBCCR2SMN1; SMN2KMT2A | |
| SCHEMBL2600855 | 0.76 | SIRT1 (0.46) | SIRT1PI4KBCCR2SMN1; SMN2KMT2A | |
| SCHEMBL2600854 | 0.72 | SIRT1 (0.45) | SIRT1PI4KBCCR2ADRA2BSLC6A4 | |
| SCHEMBL2600856 | 0.72 | NOS1 (0.44) | SIRT1CCR2SIGMAR1ACKR3 | |
| SCHEMBL8209613 | 0.71 | SIRT1 (0.47) | SIRT1PI4KBCCR2SMN1; SMN2KMT2A |
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-2005026111-A2 | HETEROAROMATIC SELECTIVE INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE | NORTHWESTERN UNIVERSITY (US) | 2005-03-24 | — | — | WO | disclosed |