Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | CTSK | P43235 | 6/20 | 0.41 |
| ▸ | CTSL | P07711 | 3/20 | 0.41 |
| ▸ | CTSB | P07858 | 3/20 | 0.41 |
| ▸ | CTSS | P25774 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | CASP9 | P55211 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 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 | |
|---|---|---|---|---|
| SCHEMBL10072980 | 0.88 | ABCB1 (0.41) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL381399 | 0.88 | ABCB1 (0.41) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL4416727 | 0.79 | NPC1 (0.62) | NPC1RAB9AALDH1A1LMNACASP3 | |
| SCHEMBL1162884 | 0.76 | ABCB1 (0.52) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL10788987 | 0.75 | ABCB1 (0.59) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL20901315 | 0.74 | ABCB1 (0.50) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL11517729 | 0.74 | ABCB1 (0.50) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL11653753 | 0.74 | SMN1; SMN2 (0.50) | MEN1KMT2AALDH1A1MAPTKDM4E | |
| SCHEMBL13373979 | 0.74 | L3MBTL1 (0.51) | ABCB1CTSKCTSLCTSBCTSS | |
| SCHEMBL381080 | 0.73 | ABCB1 (0.53) | ABCB1CTSKCTSLCTSBCTSS |
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 |
|---|---|---|---|---|---|---|---|
| EP-2086938-B1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2012-01-25 | — | — | EP | disclosed |