Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.37 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21096087 | 0.91 | ESR2 (0.32) | ENPP3KDM4E | |
| SCHEMBL48955 | 0.85 | ESR1 (0.41) | NPC1RAB9AALDH1A1KDM4ELMNA | |
| SCHEMBL6748685 | 0.85 | ALDH1A1 (0.39) | NPC1RAB9AALDH1A1PTPN1TDP1 | |
| SCHEMBL16075808 | 0.84 | NPC1 (0.37) | NPC1RAB9AALDH1A1PTPN1ENPP3 | |
| SCHEMBL676007 | 0.83 | CA12 (0.30) | — | |
| SCHEMBL12977080 | 0.82 | ESR1 (0.40) | POLB | |
| SCHEMBL5091208 | 0.81 | ESR1 (0.32) | NPC1RAB9AALDH1A1LMNANPSR1 | |
| SCHEMBL16075814 | 0.81 | NPC1 (0.35) | NPC1RAB9AALDH1A1PTPN1ENPP3 | |
| SCHEMBL15735426 | 0.80 | NPC1 (0.43) | NPC1RAB9ALMNAHSD17B10NOTUM | |
| SCHEMBL15738693 | 0.79 | TAAR1 (0.50) | PTPN1CYP3A4TAAR1NOTUM |
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-2015023001-A1 | NOVEL ORGANOPOLYSILOXANE, SURFACE TREATMENT AGENT COMPRISING THE SAME, RESIN COMPOSITION COMPRISING THE SAME, AND GELATINOUS PRODUCT OR CURED PRODUCT THEREOF | DOW CORNING TORAY CO., LTD. (JP) | 2015-02-19 | — | — | WO | disclosed |