Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 2/20 | 0.51 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CMKLR1 | Q99788 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19127310 | 1.00 | HTR3A (0.51) | HTR3AF2PLAUELANESRD5A2 | |
| SCHEMBL20646888 | 0.89 | HTR3A (0.50) | HTR3ASRD5A2S1PR3SMN1; SMN2MAOB | |
| SCHEMBL20646891 | 0.87 | HTR3A (0.49) | HTR3ASRD5A2S1PR3LMNAMAOB | |
| SCHEMBL23093693 | 0.83 | ELANE (0.49) | HTR3AF2PLAUELANEHPGD | |
| SCHEMBL19128141 | 0.81 | HTR3A (0.47) | HTR3ASRD5A2MEN1KMT2ADYRK1A | |
| SCHEMBL19128003 | 0.79 | HTR3A (0.45) | HTR3AF2PLAUELANESRD5A2 | |
| SCHEMBL19127270 | 0.79 | ELANE (0.42) | HTR3AF2PLAUELANEHPGD | |
| SCHEMBL30711997 | 0.79 | ELANE (0.42) | HTR3AF2PLAUELANEHPGD | |
| SCHEMBL28568174 | 0.78 | ELANE (0.58) | HTR3AF2PLAUELANEMEN1 | |
| SCHEMBL19128146 | 0.77 | ELANE (0.42) | F2PLAUELANESMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-110869363-B | 5-membered and bicyclic heterocyclic amides as ROCK inhibitors | 百时美施贵宝公司 | 2024-01-05 | — | — | CN | disclosed |