Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.41 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6880304 | 0.78 | NPC1 (0.40) | RAB9ANPC1ALDH1A1LMNATP53 | |
| SCHEMBL6879857 | 0.78 | CTSS (0.43) | CTSSRAB9AMMP13POLBNPC1 | |
| SCHEMBL6878320 | 0.78 | CCR1 (0.40) | CTSSPOLBNPC1KMT2AMEN1 | |
| SCHEMBL6878825 | 0.75 | CTSS (0.46) | CTSSRAB9AMMP13POLBNPC1 | |
| SCHEMBL6876745 | 0.73 | SMN1; SMN2 (0.43) | CTSSRAB9ANPC1KMT2AMEN1 | |
| SCHEMBL6878259 | 0.66 | CTSS (0.47) | CTSS | |
| SCHEMBL15047914 | 0.66 | CTSS (1.00) | CTSS | |
| SCHEMBL19387376 | 0.65 | ALDH1A1 (0.76) | RAB9APOLBNPC1KMT2AMEN1 | |
| SCHEMBL558326 | 0.63 | HPGD (0.55) | CTSSRAB9AMMP13POLBNPC1 | |
| SCHEMBL6878211 | 0.62 | CTSS (0.49) | CTSSKMT2A |
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-2011109470-A1 | HETEROARYL NITRILE COMPOUNDS USEFUL AS INHIBITORS OF CATHEPSIN-S | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-09-09 | — | — | WO | disclosed |