Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA7 | P43166 | 3/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.53 |
| ▸ | CA3 | P07451 | 1/20 | 0.53 |
| ▸ | CA4 | P22748 | 1/20 | 0.53 |
| ▸ | CA6 | P23280 | 1/20 | 0.53 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.53 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.50 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2094555 | 0.92 | TSHR (0.58) | CA12CA2CA7CA9CA14 | |
| SCHEMBL28751219 | 0.90 | TSHR (0.56) | CA12CA2CA7CA9CA14 | |
| SCHEMBL7119653 | 0.86 | CYP4F2 (0.68) | CA12CA2CA7CA9CA14 | |
| SCHEMBL11575023 | 0.82 | KLKB1 (0.51) | CA12CA2CA7CA9CA14 | |
| SCHEMBL27658117 | 0.82 | CA12 (0.68) | CA12CA2CA7CA9CA14 | |
| SCHEMBL28386844 | 0.82 | TSHR (0.47) | CA12CA2CA7CA9CA14 | |
| SCHEMBL1206020 | 0.81 | TSHR (0.58) | CA12CA2CA7CA9CA14 | |
| SCHEMBL4627095 | 0.81 | TSHR (0.62) | CA12CA2CA7CA9CA14 | |
| SCHEMBL522636 | 0.81 | CYP4F2 (0.57) | CA12CA2CA7CA9CA14 | |
| SCHEMBL2855089 | 0.80 | CA12 (0.50) | CA12CA2CA7CA9CA14 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1503980-A2 | SUBSTITUTED HYDROXYETHYLAMINES | Elan Pharmaceuticals, Inc. (US) | 2005-02-09 | — | — | EP | disclosed |
| EP-1453789-A2 | N,N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | Elan Pharmaceuticals, Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003072535-A2 | SUBSTITUTED HYDROXYETHYLAMINES | ELAN PHARMACEUTICALS, INC. (US) | 2003-09-04 | — | — | WO | disclosed |
| WO-2003040096-A2 | N, N'-SUBSTITUTED-1,3-DIAMINO-2-HYDROXYPROPANE DERIVATIVES | ELAN PHARMACEUTICALS, INC. (US) | 2003-05-15 | — | — | WO | disclosed |