Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.55 |
| ▸ | NPC1 | O15118 | 8/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.55 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.51 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.51 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7036861 | 0.86 | MEN1 (0.54) | RAB9ANPC1SMN1; SMN2ALDH1A1PDK1 | |
| SCHEMBL9235174 | 0.85 | RAB9A (0.55) | RAB9ANPC1SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL22185077 | 0.79 | HDAC3 (0.62) | RAB9ANPC1SMN1; SMN2GAAALDH1A1 | |
| SCHEMBL3492765 | 0.77 | MAPT (0.50) | RAB9ASMN1; SMN2ALDH1A1CYP1A2LMNA | |
| SCHEMBL3491598 | 0.77 | MAPT (0.50) | RAB9ASMN1; SMN2ALDH1A1CYP1A2LMNA | |
| SCHEMBL2910709 | 0.77 | MAPT (0.50) | RAB9ASMN1; SMN2ALDH1A1CYP1A2LMNA | |
| Hydrochloric Acid SCHEMBL1971295 | 0.76 | MAPT (0.49) | RAB9ASMN1; SMN2ALDH1A1CYP1A2LMNA | |
| SCHEMBL1968658 | 0.76 | MAPT (0.53) | RAB9ANPC1SMN1; SMN2ALDH1A1PDK1 | |
| SCHEMBL1969077 | 0.76 | MAPT (0.53) | RAB9ANPC1SMN1; SMN2ALDH1A1PDK1 | |
| Hydrochloric Acid SCHEMBL1971292 | 0.76 | MAPT (0.49) | RAB9ASMN1; SMN2ALDH1A1CYP1A2LMNA |
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-0659737-B1 | Catecholamine surrogates useful as beta 3 agonists | BRISTOL MYERS SQUIBB CO (US) | 2003-03-26 | — | — | EP | disclosed |
| US-5776983-A | ANTIDIABETIC AGENTS, OBESITY, GASTROINTESTINAL DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-07-07 | — | — | US | disclosed |
| EP-0659737-A2 | Catecholamine surrogates useful as B3 agonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-06-28 | — | — | EP | disclosed |