Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | ESR1 | P03372 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12391683 | 1.00 | KMT2A (0.41) | KMT2AMEN1ESR1SMN1; SMN2TSHR | |
| SCHEMBL2770573 | 0.77 | ATM (0.42) | KMT2AMEN1ESR1SMN1; SMN2ATM | |
| SCHEMBL11165284 | 0.77 | ALDH1A1 (0.54) | SMN1; SMN2TSHRCES2CES1ALDH1A1 | |
| SCHEMBL11171294 | 0.77 | ALDH1A1 (0.54) | SMN1; SMN2TSHRCES2CES1ALDH1A1 | |
| SCHEMBL5447294 | 0.76 | MEN1 (0.44) | KMT2AMEN1ESR1SMN1; SMN2TSHR | |
| SCHEMBL13990398 | 0.76 | ATM (0.41) | KMT2AMEN1ESR1SMN1; SMN2ATM | |
| SCHEMBL2768577 | 0.76 | ATM (0.41) | KMT2AMEN1ESR1SMN1; SMN2ATM | |
| SCHEMBL2767639 | 0.76 | ATM (0.41) | KMT2AMEN1ESR1SMN1; SMN2ATM | |
| SCHEMBL5447296 | 0.76 | MEN1 (0.44) | KMT2AMEN1ESR1SMN1; SMN2TSHR | |
| SCHEMBL5879098 | 0.74 | KMT2A (0.40) | KMT2AMEN1ESR1SMN1; SMN2ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-9000003-B2 | Anti-folate antimalarials with dual-binding modes and their preparation | NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) | 2015-04-07 | — | — | US | disclosed |