Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 1/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | MGLL | Q99685 | 2/20 | 0.53 |
| ▸ | FAAH | O00519 | 1/20 | 0.53 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.47 |
| ▸ | BLK | P51451 | 1/20 | 0.47 |
| ▸ | BTK | Q06187 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL28859639 | 0.89 | NPC1 (0.70) | NPC1RAB9AMAPTMGLLFAAH | |
| SCHEMBL6067806 | 0.85 | NPC1 (0.64) | NPC1RAB9AMAPTMGLLFAAH | |
| SCHEMBL9524957 | 0.85 | F10 (0.56) | NPC1RAB9AMAPTMGLLSMN1; SMN2 | |
| SCHEMBL9524227 | 0.84 | NPC1 (0.56) | NPC1RAB9AMAPTMGLLFAAH | |
| SCHEMBL1554137 | 0.84 | NPC1 (0.70) | NPC1RAB9AMAPTMGLLFAAH | |
| SCHEMBL14648942 | 0.84 | NPC1 (0.70) | NPC1RAB9AMAPTCYP1A2CYP2C9 | |
| SCHEMBL4201821 | 0.84 | NPC1 (0.66) | NPC1RAB9AMAPTMGLLFAAH | |
| SCHEMBL13193092 | 0.84 | RAB9A (0.55) | NPC1RAB9AMAPTMGLLHDAC3 | |
| SCHEMBL16088310 | 0.83 | NPC1 (0.61) | NPC1RAB9AMAPTCYP1A2CYP2C9 | |
| SCHEMBL2069644 | 0.83 | SMN1; SMN2 (0.73) | MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0285000-B1 | CHROMOGENE COMPOUNDS, THEIR MANUFACTURE AND USE AS ENZYME SUBSTRATES | Roche Diagnostics GmbH (DE) | 1993-07-28 | — | — | EP | disclosed |
| US-5190862-A | Peptide modified compound | BOEHRINGER MANNHEIM GMBH (DE) | 1993-03-02 | — | — | US | disclosed |
| US-5108890-A | Diagnostic agents for determining peptide bond-cleaving enzymes; measuring light absorbed by liberated colored materials | BOEHRINGER MANNHEIM GMBH (DE) | 1992-04-28 | — | — | US | disclosed |
| EP-0285000-A2 | Chromogene compounds, their manufacture and use as enzyme substrates | Roche Diagnostics GmbH (DE) | 1988-10-05 | — | — | EP | disclosed |