Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 3/20 | 0.36 |
| ▸ | AVPR1B | P47901 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16618005 | 1.00 | SLC6A2 (0.43) | SLC6A2SLC6A4KDRCNR2TRPV1 | |
| SCHEMBL16617381 | 0.89 | IKBKB (0.39) | KDRCNR2TRPV1IKBKBNPC1 | |
| SCHEMBL16616900 | 0.89 | IKBKB (0.39) | KDRCNR2TRPV1IKBKBNPC1 | |
| SCHEMBL16617323 | 0.88 | ACKR3 (0.46) | SLC6A2SLC6A4NPC1TP53MAPK1 | |
| SCHEMBL16617324 | 0.88 | ACKR3 (0.46) | SLC6A2SLC6A4NPC1TP53MAPK1 | |
| SCHEMBL16638066 | 0.84 | CTSK (0.48) | SLC6A2SLC6A4TP53CTSKKDM4E | |
| SCHEMBL16617295 | 0.84 | CTSK (0.48) | SLC6A2SLC6A4TP53CTSKKDM4E | |
| SCHEMBL16617294 | 0.84 | CTSK (0.48) | SLC6A2SLC6A4TP53CTSKKDM4E | |
| SCHEMBL16617813 | 0.83 | SLC6A2 (0.39) | SLC6A2SLC6A4CNR2CTSKSMN1; SMN2 | |
| SCHEMBL16617814 | 0.83 | SLC6A2 (0.39) | SLC6A2SLC6A4CNR2CTSKSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3055314-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015054089-A1 | CATHEPSIN CYSTEINE PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-16 | — | — | WO | disclosed |