Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | HTR5A | P47898 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.33 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15051645 | 0.79 | PIK3C3 (0.39) | SCN9ADHODHGPBAR1 | |
| SCHEMBL15051710 | 0.72 | SCN9A (0.40) | SCN9AHSD17B10PARP1DHODHALDH1A1 | |
| SCHEMBL15051676 | 0.70 | ABL1 (0.49) | — | |
| SCHEMBL15058079 | 0.69 | SCN9A (0.37) | SCN9AHSD17B10DPP4DPP8MEN1 | |
| SCHEMBL15051695 | 0.68 | GAA (0.41) | HSD17B10MEN1ALDH1A1KMT2A | |
| SCHEMBL15051266 | 0.67 | MAPT (0.42) | HSD17B10DHODHMEN1ALDH1A1KMT2A | |
| SCHEMBL15051599 | 0.67 | DHODH (0.43) | DHODHCNR1MEN1ALDH1A1KMT2A | |
| SCHEMBL15051538 | 0.66 | ABL1 (0.49) | — | |
| SCHEMBL15051293 | 0.65 | MAPT (0.40) | HSD17B10DHODHMEN1ALDH1A1KMT2A | |
| SCHEMBL16344974 | 0.65 | SIRT6 (0.34) | MEN1ALDH1A1KMT2AADORA3 |
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-2793880-A1 | HETEROARYLS AND USES THEREOF | Millennium Pharmaceuticals, Inc. (US) | 2014-10-29 | — | — | EP | disclosed |
| WO-2013096630-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | WO | disclosed |