Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.42 |
| ▸ | RAB9A | P51151 | 7/20 | 0.42 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | HPGD | P15428 | 5/20 | 0.39 |
| ▸ | GLA | P06280 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11519732 | 0.98 | NPC1 (0.44) | NPC1RAB9AMAPTALDH1A1HPGD | |
| SCHEMBL19291 | 0.98 | NPC1 (0.44) | NPC1RAB9AMAPTALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL27346450 | 0.97 | NPC1 (0.42) | NPC1RAB9AMAPTALDH1A1HPGD | |
| Methane SCHEMBL11523432 | 0.97 | NPC1 (0.42) | NPC1RAB9AMAPTALDH1A1HPGD | |
| SCHEMBL4674985 | 0.95 | NPC1 (0.41) | NPC1RAB9AMAPTALDH1A1HPGD | |
| Anthraquinone SCHEMBL11078992 | 0.92 | NPC1 (0.54) | NPC1RAB9AMAPTALDH1A1HPGD | |
| Anthraquinone SCHEMBL2778406 | 0.92 | NPC1 (0.54) | NPC1RAB9AMAPTALDH1A1HPGD | |
| SCHEMBL7094873 | 0.91 | RAB9A (0.39) | NPC1RAB9AMAPTALDH1A1HPGD | |
| Acetic Acid SCHEMBL10322227 | 0.90 | NPC1 (0.38) | NPC1RAB9AMAPTALDH1A1HPGD | |
| Perchlorate SCHEMBL3900229 | 0.90 | RAB9A (0.38) | NPC1RAB9AMAPTALDH1A1HPGD |
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-2004089529-A1 | METHOD FOR THE INTRAMOLECULAR ENERGY TRANSFER FOR THE CLEAVAGE OF LABILE FUNCTIONAL GROUP FROM BIOMOLECULES AND THE PROTECTED BIOMOLECULES | Universität Konstanz (DE) | 2004-10-21 | — | — | WO | disclosed |