Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 5/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28879045 | 1.00 | NPC1 (0.50) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL7529684 | 1.00 | NPC1 (0.50) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL9567002 | 1.00 | NPC1 (0.50) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL3124117 | 1.00 | NPC1 (0.50) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL3115987 | 1.00 | NPC1 (0.50) | NPC1RAB9AMEN1KMT2AATM | |
| Ammonia Solution, Strong SCHEMBL27627886 | 0.98 | NPC1 (0.48) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL9466506 | 0.98 | MEN1 (0.52) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL6863156 | 0.93 | MEN1 (0.54) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL6863164 | 0.93 | MEN1 (0.54) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL28281740 | 0.89 | NPC1 (0.62) | NPC1RAB9AMEN1KMT2AATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0541081-A2 | Compounds with only a side chain for use in liquid crystal mixtures | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-05-12 | — | — | EP | disclosed |