Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.37 |
| ▸ | RELA | Q04206 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 1/20 | 0.36 |
| ▸ | CCR8 | P51685 | 1/20 | 0.36 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10020880 | 0.93 | PTGS2 (0.44) | NPC1RAB9ASMN1; SMN2L3MBTL1TP53 | |
| SCHEMBL2993441 | 0.93 | SKP2 (0.44) | NPC1RAB9AMAPK1HPGDHTT | |
| SCHEMBL1146845 | 0.91 | SKP2 (0.43) | NPC1RAB9AMAPK1HPGDHTT | |
| SCHEMBL29191290 | 0.86 | SKP2 (0.40) | NPC1RAB9AMAPK1HPGDHTT | |
| SCHEMBL12993222 | 0.85 | PTGS2 (0.41) | NPC1RAB9ASMN1; SMN2L3MBTL1TP53 | |
| SCHEMBL11798255 | 0.85 | TDP1 (0.46) | NPC1RAB9AHPGDSMN1; SMN2L3MBTL1 | |
| SCHEMBL1446914 | 0.85 | TDP1 (0.46) | NPC1RAB9AHPGDSMN1; SMN2L3MBTL1 | |
| SCHEMBL913250 | 0.85 | TDP1 (0.46) | NPC1RAB9AHPGDSMN1; SMN2L3MBTL1 | |
| SCHEMBL7963811 | 0.85 | TDP1 (0.46) | NPC1RAB9AHPGDSMN1; SMN2L3MBTL1 | |
| SCHEMBL7964430 | 0.85 | TDP1 (0.46) | NPC1RAB9AHPGDSMN1; SMN2L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9708336-B2 | Metallo-beta-lactamase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-07-18 | — | — | US | disclosed |
| WO-2012065981-A1 | COMPOUND OR MIXTURE OF PHOTOLUMINESCENT COMPOUNDS | ENI S.P.A. (IT) | 2012-05-24 | — | — | WO | disclosed |