Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | DBH | P09172 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2534486 | 0.75 | ALDH1A1 (0.64) | SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL29665745 | 0.65 | SMN1; SMN2 (0.57) | SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL13461856 | 0.64 | NPC1 (0.55) | SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL11883 | 0.63 | ACHE (0.62) | SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL8793443 | 0.61 | CA2 (0.52) | SMN1; SMN2ALDH1A1MAPTLMNAHTT | |
| SCHEMBL2247419 | 0.59 | TDP1 (0.61) | SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL2759522 | 0.59 | HTT (0.51) | SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1 | |
| Ammonia Solution, Strong SCHEMBL23291273 | 0.58 | HTT (0.50) | SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1 | |
| SCHEMBL4287186 | 0.58 | TSHR (0.43) | MAPK1KMT2AMEN1LMNA | |
| SCHEMBL11959799 | 0.58 | HTT (0.52) | SMN1; SMN2NPC1RAB9AALDH1A1L3MBTL1 |
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-2010034003-A2 | BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE | CALCIMEDICA, INC. (US) | 2010-03-25 | — | — | WO | disclosed |