Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 3/20 | 0.39 |
| ▸ | CTSS | P25774 | 3/20 | 0.39 |
| ▸ | CTSB | P07858 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | ERAP2 | Q6P179 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | IL1RN | P18510 | 1/20 | 0.39 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13820299 | 1.00 | CA1 (0.45) | CA1CA2CTSKALDH1A1POLB | |
| SCHEMBL10241677 | 0.88 | CTSK (0.51) | CTSKCTSLCTSSCTSBCYP3A4 | |
| SCHEMBL16333600 | 0.88 | CTSK (0.51) | CTSKCTSLCTSSCTSBCYP3A4 | |
| SCHEMBL16301415 | 0.84 | CA1 (0.49) | CA1CA2CTSKALDH1A1POLB | |
| SCHEMBL16489828 | 0.83 | ALDH1A1 (0.54) | CA1CA2CTSKALDH1A1CTSL | |
| SCHEMBL10241658 | 0.82 | CA1 (0.50) | CA1CA2CTSKALDH1A1POLB | |
| SCHEMBL11636918 | 0.81 | CA1 (0.63) | CA1CA2CTSKALDH1A1POLB | |
| SCHEMBL20804193 | 0.80 | MMP9 (0.52) | CA1CA2CTSKALDH1A1CTSL | |
| SCHEMBL10241673 | 0.78 | CA1 (0.51) | CA1CA2CTSKALDH1A1POLB | |
| SCHEMBL8707008 | 0.78 | ALDH1A1 (0.53) | CTSKALDH1A1CTSLCTSSCTSB |
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 |
|---|---|---|---|---|---|---|---|
| US-8173840-B2 | Compounds with high therapeutic index | SIGNATURE R&D HOLDINGS, LLC (US) | 2012-05-08 | — | — | US | disclosed |