Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.41 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.41 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL741714 | 0.91 | NPC1 (0.62) | NPC1RAB9AATMTDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6131224 | 0.90 | NPC1 (0.65) | NPC1RAB9AATMTDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10444520 | 0.90 | NPC1 (0.61) | NPC1RAB9AATMTDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL31173710 | 0.90 | NPC1 (0.65) | NPC1RAB9AATMTDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL8425783 | 0.83 | NPC1 (0.58) | NPC1RAB9AATMTDP1ALDH1A1 | |
| SCHEMBL741713 | 0.81 | NPC1 (0.51) | NPC1RAB9AATMTDP1ALDH1A1 | |
| SCHEMBL13648647 | 0.79 | RAB9A (0.64) | NPC1RAB9AATMTDP1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10444521 | 0.79 | NPC1 (0.50) | NPC1RAB9AATMTDP1ALDH1A1 | |
| SCHEMBL29618182 | 0.79 | RAB9A (0.64) | NPC1RAB9AATMTDP1ALDH1A1 | |
| SCHEMBL23933293 | 0.79 | NPC1 (0.56) | NPC1RAB9AATMTDP1ALDH1A1 |
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-2005023422-A2 | PRODUCTION AND USE OF IONIC LIQUIDS CONTAINING THIOCYANATO ANIONS | SOLVENT INNOVATION GMBH (DE) | 2005-03-17 | — | — | WO | disclosed |