Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | TPMT | P51580 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.46 |
| ▸ | TNF | P01375 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11565150 | 0.88 | TSHR (0.56) | NPC1RAB9AACHECA12CA1 | |
| SCHEMBL4389663 | 0.85 | ACHE (0.59) | ACHECA12CA1CA2CA4 | |
| SCHEMBL8548238 | 0.85 | ALDH1A1 (0.50) | HPGDCYP1A2CYP2C19CYP2D6TSHR | |
| SCHEMBL11376411 | 0.85 | CA12 (0.56) | NPC1RAB9ACA12CA1CA2 | |
| SCHEMBL28250185 | 0.83 | CES2 (0.56) | NPC1RAB9AACHECA12CA1 | |
| SCHEMBL11752093 | 0.82 | ACHE (0.49) | NPC1RAB9AACHECA12CA1 | |
| SCHEMBL7017619 | 0.80 | ALDH1A1 (0.57) | NPC1RAB9ACA1CA2CYP1A2 | |
| SCHEMBL27950439 | 0.78 | ALDH1A1 (0.47) | NPC1RAB9AACHECA12CA1 | |
| SCHEMBL28196332 | 0.78 | ACHE (0.49) | NPC1RAB9AACHECA12CA1 | |
| SCHEMBL9000519 | 0.78 | CYP2C19 (0.56) | ACHECA12CA1CA2CA4 |
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-4263311-A | ANTIARTHRITIC AGENTS | SMITHKLINE CORPORATION (US) | 1981-04-21 | — | — | US | disclosed |