Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ITK | Q08881 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 0.33 |
| ▸ | VNN1 | O95497 | 2/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9905171 | 1.00 | NTRK1 (0.36) | NTRK1LMNAITKTP53VNN1 | |
| SCHEMBL9905335 | 0.91 | HPGD (0.35) | LMNATP53ROCK2ROCK1POLB | |
| SCHEMBL9905331 | 0.91 | HPGD (0.35) | LMNATP53ROCK2ROCK1POLB | |
| SCHEMBL18558219 | 0.84 | MAPT (0.45) | TP53VNN1MAPTSMN1; SMN2PTGS2 | |
| SCHEMBL18558134 | 0.79 | ALDH1A1 (0.34) | LMNAVNN1SMN1; SMN2HDAC2ALDH1A1 | |
| SCHEMBL9921096 | 0.79 | MEN1 (0.48) | LMNAHDAC6MAPTHDAC3HDAC1 | |
| SCHEMBL17088582 | 0.78 | EPHX2 (0.45) | ROCK2ROCK1HDAC6EPHX2HDAC3 | |
| SCHEMBL17088575 | 0.78 | ROCK2 (0.37) | TP53ROCK2ROCK1HDAC4HDAC6 | |
| SCHEMBL17088583 | 0.77 | EPHX2 (0.46) | ROCK2ROCK1HDAC6EPHX2HDAC3 | |
| SCHEMBL19362753 | 0.75 | CCNA2 (0.39) | HDAC4EPHX2SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2648511-A1 | PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | Lycera Corporation (US) | 2013-10-16 | — | — | EP | disclosed |
| WO-2012078874-A1 | PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | LYCERA CORPORATION (US) | 2012-06-14 | — | — | WO | disclosed |