Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 10/20 | 0.52 |
| ▸ | CTSK | P43235 | 8/20 | 0.52 |
| ▸ | CTSL | P07711 | 3/20 | 0.52 |
| ▸ | CTSB | P07858 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 5/20 | 0.43 |
| ▸ | PPARG | P37231 | 4/20 | 0.43 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5019156 | 1.00 | CTSS (0.52) | CTSSCTSKCTSLCTSBMEN1 | |
| SCHEMBL3544394 | 0.87 | CTSS (0.54) | CTSSCTSKCTSLCTSBMEN1 | |
| SCHEMBL5019146 | 0.87 | CTSS (0.54) | CTSSCTSKCTSLCTSBMEN1 | |
| SCHEMBL1626495 | 0.87 | CTSS (0.54) | CTSSCTSKCTSLCTSBMEN1 | |
| SCHEMBL5018896 | 0.86 | CTSS (0.55) | CTSSCTSKCTSLCTSBMEN1 | |
| SCHEMBL7280758 | 0.85 | CTSS (0.49) | CTSSCTSKCTSLCTSBMEN1 | |
| SCHEMBL31230470 | 0.84 | CTSK (0.54) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL31407722 | 0.84 | CTSK (0.54) | CTSSCTSKCTSLCTSBCAPN1 | |
| SCHEMBL5018863 | 0.81 | MEN1 (0.49) | CTSSCTSKCTSLCTSBMEN1 | |
| SCHEMBL66243 | 0.80 | CTSL (0.66) | CTSSCTSKCTSLCTSBMEN1 |
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-8178490-B2 | Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof | REMPEX PHARMACEUTICALS, INC. (US) | 2012-05-15 | — | — | US | disclosed |
| WO-2010054102-A2 | POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF | MPEX PHARMACEUTICALS, INC. (US) | 2010-05-14 | — | — | WO | disclosed |