Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 2/20 | 0.33 |
| ▸ | CTSK | P43235 | 2/20 | 0.33 |
| ▸ | NPR3 | P17342 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | APP | P05067 | 1/20 | 0.31 |
| ▸ | NOS1 | P29475 | 2/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10241566 | 1.00 | CA12 (0.35) | CA12CA14DGAT1CA1CA2 | |
| SCHEMBL7973606 | 0.85 | CTSK (0.40) | CA12CA14DGAT1CA1CA2 | |
| SCHEMBL22787789 | 0.85 | CTSK (0.40) | CA12CA14DGAT1CA1CA2 | |
| SCHEMBL7973604 | 0.85 | CTSK (0.40) | CA12CA14DGAT1CA1CA2 | |
| SCHEMBL16684109 | 0.82 | CA1 (0.37) | CA12CA14DGAT1CA1CA2 | |
| SCHEMBL13863597 | 0.82 | CA12 (0.38) | CA12CA14DGAT1CA1CA2 | |
| SCHEMBL19764856 | 0.82 | CA12 (0.34) | CA12CA14DGAT1CA1CA2 | |
| SCHEMBL29750471 | 0.82 | CA12 (0.38) | CA12CA14DGAT1CA1CA2 | |
| SCHEMBL23901493 | 0.80 | CA12 (0.33) | CA12CA14DGAT1CA1CA2 | |
| SCHEMBL2772892 | 0.80 | CTSK (0.47) | CA12CA14CA1CA2CA7 |
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-8173840-B2 | Compounds with high therapeutic index | SIGNATURE R&D HOLDINGS, LLC (US) | 2012-05-08 | — | — | US | disclosed |
| US-7589233-B2 | L-Threonine derivatives of high therapeutic index | SIGNATURE R&D HOLDINGS, LLC (US) | 2009-09-15 | — | — | US | disclosed |