Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.36 |
| ▸ | HPGD | P15428 | 8/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.36 |
| ▸ | TSHR | P16473 | 7/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.32 |
| ▸ | USP2 | O75604 | 3/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.31 |
| ▸ | HTT | P42858 | 4/20 | 0.31 |
| ▸ | LMNA | P02545 | 4/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4416831 | 0.99 | ALDH1A1 (0.35) | ALDH1A1HPGDSMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL4411234 | 0.91 | — | — | |
| SCHEMBL4414645 | 0.91 | — | — | |
| SCHEMBL4422619 | 0.86 | ALDH1A1 (0.36) | ALDH1A1HPGDSMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL3857043 | 0.85 | NPSR1 (0.31) | ALDH1A1HPGDMAPTNPSR1KDM4E | |
| SCHEMBL4413137 | 0.81 | KDM4E (0.34) | ALDH1A1HPGDHSD17B10MAPTKDM4E | |
| SCHEMBL733415 | 0.79 | TSHR (0.46) | ALDH1A1HPGDSMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL730567 | 0.79 | TSHR (0.45) | ALDH1A1HPGDSMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL730568 | 0.79 | TSHR (0.45) | ALDH1A1HPGDSMN1; SMN2TSHRHSD17B10 | |
| SCHEMBL4427903 | 0.78 | KHK (0.35) | HTT |
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-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | claimed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | claimed |
| EP-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |