Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | ACACB | O00763 | 1/20 | 0.52 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | TDO2 | P48775 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL17790201 | 0.86 | RAB9A (0.60) | RAB9ANPC1TP53SMN1; SMN2NPSR1 | |
| SCHEMBL10224025 | 0.83 | RAB9A (0.60) | RAB9ANPC1TP53SMN1; SMN2NPSR1 | |
| SCHEMBL19954243 | 0.82 | RAB9A (0.60) | RAB9ANPC1TP53SMN1; SMN2NPSR1 | |
| SCHEMBL13853835 | 0.81 | TP53 (0.56) | RAB9ANPC1TP53SMN1; SMN2NPSR1 | |
| SCHEMBL7901271 | 0.81 | RAB9A (0.67) | RAB9ANPC1TP53SMN1; SMN2NPSR1 | |
| SCHEMBL3863696 | 0.81 | RAB9A (0.58) | RAB9ANPC1TP53SMN1; SMN2NPSR1 | |
| SCHEMBL21016172 | 0.81 | RAB9A (0.55) | RAB9ANPC1TP53SMN1; SMN2NPSR1 | |
| SCHEMBL22387485 | 0.80 | ALDH1A1 (0.60) | RAB9ANPC1TP53SMN1; SMN2NPSR1 | |
| SCHEMBL19070392 | 0.80 | ALDH1A1 (0.62) | RAB9ANPC1TP53SMN1; SMN2NPSR1 | |
| SCHEMBL10272898 | 0.79 | RAB9A (0.65) | RAB9ANPC1TP53SMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9914740-B2 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-13 | — | — | US | disclosed |