Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7832563 | 0.92 | CYP3A4 (0.57) | SMN1; SMN2CYP3A4MAPTALDH1A1HSD17B10 | |
| SCHEMBL5573727 | 0.84 | SMN1; SMN2 (0.48) | SMN1; SMN2CYP3A4MAPTTSHRACACB | |
| SCHEMBL1744756 | 0.83 | ALDH1A1 (0.52) | SMN1; SMN2CYP3A4MAPTTSHRACACB | |
| SCHEMBL1744754 | 0.83 | ALDH1A1 (0.52) | SMN1; SMN2CYP3A4MAPTTSHRACACB | |
| SCHEMBL7831262 | 0.77 | SMN1; SMN2 (0.41) | SMN1; SMN2CYP3A4MAPTTSHRACACB | |
| SCHEMBL28739467 | 0.77 | TSHR (0.54) | SMN1; SMN2TSHRCYP2D6SLC6A3MEN1 | |
| SCHEMBL7118271 | 0.76 | TAAR1 (0.58) | SMN1; SMN2CYP3A4MAPTHSD17B10CYP2D6 | |
| SCHEMBL1744721 | 0.75 | KLK5 (0.50) | SMN1; SMN2MAPTNPC1RAB9AALDH1A1 | |
| SCHEMBL1744724 | 0.75 | KLK5 (0.50) | SMN1; SMN2MAPTNPC1RAB9AALDH1A1 | |
| Phenylalanine Methyl Ester SCHEMBL7250904 | 0.75 | SLC7A5 (0.50) | SMN1; SMN2MAPTTSHRNPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0460488-B1 | Sulfur-containing heterocyclic compounds | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2001-07-11 | — | — | EP | disclosed |
| US-5158943-A | Osteoporosis | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-10-27 | — | — | US | disclosed |
| EP-0460488-A1 | Sulfur-containing heterocyclic compounds | Takeda Chemical Industries, Ltd. (JP) | 1991-12-11 | — | — | EP | disclosed |