Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.44 |
| ▸ | ALKBH1 | Q13686 | 5/20 | 0.44 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17454404 | 0.89 | MAOB (0.54) | MAPTALDH1A1HTTSMN1; SMN2SRD5A2 | |
| SCHEMBL17437917 | 0.88 | ALKBH1 (0.53) | SRD5A2P4HTMALKBH1EPHB3MAOB | |
| SCHEMBL1324201 | 0.86 | EPHB3 (0.46) | ALDH1A1HTTRAB9ASMN1; SMN2SRD5A2 | |
| SCHEMBL17452634 | 0.85 | ALKBH1 (0.43) | SRD5A2P4HTMALKBH1EPHB3MAOB | |
| SCHEMBL24247786 | 0.81 | NR1I2 (0.39) | MAPTGAARAB9ASMN1; SMN2MEN1 | |
| SCHEMBL19997307 | 0.81 | MEN1 (0.43) | ALDH1A1RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL24247778 | 0.80 | ROCK2 (0.46) | MAPTALDH1A1KDM4E | |
| SCHEMBL23889082 | 0.80 | PDE2A (0.38) | MAPTALDH1A1GAAHTTRAB9A | |
| SCHEMBL21947201 | 0.79 | HPGD (0.41) | MAPTALDH1A1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL20646745 | 0.78 | ROCK2 (0.40) | SMN1; SMN2MEN1KMT2A |
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-9902702-B2 | Spirocycloheptanes as inhibitors of rock | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-02-27 | — | — | US | disclosed |