Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6546465 | 0.79 | SMN1; SMN2 (0.44) | SMN1; SMN2L3MBTL1HPGDGPR52LMNA | |
| SCHEMBL21583140 | 0.77 | ALDH1A1 (0.40) | L3MBTL1LMNAGAAMEN1ALDH1A1 | |
| SCHEMBL28555686 | 0.72 | KMT2A (0.50) | SMN1; SMN2L3MBTL1HPGDGPR52CES2 | |
| SCHEMBL163962 | 0.72 | MAOA (0.50) | L3MBTL1CES2CES1AKR1B1MEN1 | |
| SCHEMBL18436486 | 0.71 | FFAR1 (0.44) | L3MBTL1GPR52ALDH1A1 | |
| SCHEMBL6546473 | 0.71 | NPC1 (0.51) | SMN1; SMN2L3MBTL1LMNAGAAMEN1 | |
| SCHEMBL11221252 | 0.71 | LMNA (0.67) | SMN1; SMN2L3MBTL1HPGDGPR52CES2 | |
| Benzene SCHEMBL9806260 | 0.69 | CES1 (0.50) | CES2CES1AKR1B1MEN1ALDH1A1 | |
| SCHEMBL11339635 | 0.69 | CES1 (0.50) | CES2CES1AKR1B1MEN1ALDH1A1 | |
| SCHEMBL531194 | 0.69 | CES1 (0.50) | CES2CES1AKR1B1MEN1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019200224-A1 | SYNERGISTIC DRUG COMBINATIONS PREDICTED FROM GENOMIC FEATURES AND SINGLE-AGENT RESPONSE PROFILES | THE BROAD INSTITUTE, INC. (US) | 2019-10-17 | — | — | WO | disclosed |