Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 2/20 | 0.43 |
| ▸ | ACLY | P53396 | 1/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4857075 | 0.86 | SMN1; SMN2 (0.48) | ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E | |
| SCHEMBL11918926 | 0.83 | THRA (0.44) | ALDH1A1SMN1; SMN2KDM4EHSD17B10LMNA | |
| SCHEMBL10895603 | 0.83 | SMN1; SMN2 (0.41) | ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E | |
| SCHEMBL5071184 | 0.82 | SMN1; SMN2 (0.70) | ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E | |
| SCHEMBL5494824 | 0.82 | ACLY (0.58) | ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E | |
| SCHEMBL11282353 | 0.82 | KMT2A (0.47) | ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E | |
| SCHEMBL1221632 | 0.81 | CYP19A1 (0.50) | ALDH1A1KMT2ASMN1; SMN2MEN1ADRB3 | |
| SCHEMBL7107204 | 0.81 | ADRB3 (0.47) | ALDH1A1KMT2ASMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL2546108 | 0.81 | ADRB3 (0.64) | SMN1; SMN2KDM4EHSD17B10GSK3BADRB3 | |
| SCHEMBL4852193 | 0.81 | ALDH1A1 (0.48) | ALDH1A1KMT2ASMN1; SMN2MEN1KDM4E |
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-0659737-B1 | Catecholamine surrogates useful as beta 3 agonists | BRISTOL MYERS SQUIBB CO (US) | 2003-03-26 | — | — | EP | disclosed |
| EP-0659737-A2 | Catecholamine surrogates useful as B3 agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-06-28 | — | — | EP | disclosed |