Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPM8 | Q7Z2W7 | 7/20 | 0.50 |
| ▸ | CDC7 | O00311 | 6/20 | 0.50 |
| ▸ | DBF4 | Q9UBU7 | 6/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL956775 | 0.99 | TRPM8 (0.49) | TRPM8CDC7DBF4TSHRRAB9A | |
| SCHEMBL952330 | 0.89 | TSHR (0.44) | TRPM8CDC7DBF4TSHRRAB9A | |
| SCHEMBL953424 | 0.83 | TSHR (0.39) | TRPM8CDC7DBF4TSHRRAB9A | |
| SCHEMBL956983 | 0.83 | CDC7 (0.40) | TRPM8CDC7DBF4TSHRRAB9A | |
| SCHEMBL954287 | 0.82 | SMN1; SMN2 (0.39) | TSHRRAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL954278 | 0.80 | CDC7 (0.36) | CDC7DBF4TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL958333 | 0.80 | CDC7 (0.57) | TRPM8CDC7DBF4KDM4EMEN1 | |
| SCHEMBL955757 | 0.76 | SMN1; SMN2 (0.41) | CDC7DBF4RAB9ASMN1; SMN2MAPT | |
| SCHEMBL954223 | 0.74 | CDC7 (0.48) | CDC7DBF4RAB9ASMN1; SMN2MAPT | |
| SCHEMBL953769 | 0.74 | CDC7 (0.59) | TRPM8CDC7DBF4MAPTKDM4E |
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-2391619-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | Millennium Pharmaceuticals, Inc. (US) | 2011-12-07 | — | — | EP | disclosed |
| WO-2010090716-A1 | HETEROARYLS AND THEIR USE AS PI3K INHIBITORS | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-08-12 | — | — | WO | disclosed |