Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.55 |
| ▸ | CTSS | P25774 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 1/20 | 0.55 |
| ▸ | TACR1 | P25103 | 2/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 5/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3668972 | 1.00 | CTSL (0.55) | CTSLCTSSCTSKTACR1HDAC3 | |
| SCHEMBL13959002 | 0.86 | CTSL (0.60) | CTSLCTSSCTSKTACR1HDAC3 | |
| SCHEMBL20680379 | 0.85 | CTSL (0.54) | CTSLCTSSCTSKTACR1HDAC3 | |
| SCHEMBL3007319 | 0.84 | MAPT (0.68) | CTSLCTSSCTSKTACR1HDAC3 | |
| SCHEMBL3007315 | 0.84 | MAPT (0.68) | CTSLCTSSCTSKTACR1HDAC3 | |
| SCHEMBL26768011 | 0.83 | MAPT (0.55) | CTSLCTSSCTSKTACR1HDAC3 | |
| SCHEMBL3560147 | 0.82 | CTSL (0.63) | CTSLCTSSCTSKTACR1HDAC3 | |
| SCHEMBL6409052 | 0.82 | CTSL (0.63) | CTSLCTSSCTSKTACR1HDAC3 | |
| SCHEMBL29401065 | 0.82 | CTSL (0.63) | CTSLCTSSCTSKTACR1HDAC3 | |
| SCHEMBL29398124 | 0.82 | CTSL (0.63) | CTSLCTSSCTSKTACR1HDAC3 |
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-2152664-A1 | DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS | Brystol-Myers Squibb Company (US) | 2010-02-17 | — | — | EP | disclosed |
| WO-2008157162-A1 | DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-12-24 | — | — | WO | disclosed |