Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | NMT1 | P30419 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL814 | 0.89 | HSP90AA1 (0.59) | HSP90AA1TSHRCES2CES1MAPT | |
| Acetic Acid SCHEMBL30721072 | 0.88 | HSP90AA1 (0.53) | HSP90AA1TSHRCES2CES1MAPT | |
| Acetaldehyde SCHEMBL31570102 | 0.86 | HSP90AA1 (0.52) | HSP90AA1TSHRNPC1RAB9AALDH1A1 | |
| SCHEMBL3694184 | 0.79 | HSP90AA1 (0.54) | HSP90AA1LMNAALOX12CES2CES1 | |
| SCHEMBL1508 | 0.77 | HSP90AA1 (0.55) | HSP90AA1TSHRCES2CES1MAPT | |
| SCHEMBL7522374 | 0.76 | HSP90AA1 (0.59) | HSP90AA1LMNATSHRCES2CES1 | |
| Toluene SCHEMBL3092468 | 0.73 | LMNA (0.58) | LMNATSHRALOX12ACHECES2 | |
| Maleic Acid SCHEMBL27286438 | 0.73 | ALDH1A1 (0.61) | LMNATSHRALOX12ACHECES2 | |
| Fumaric Acid SCHEMBL7140603 | 0.73 | ALDH1A1 (0.61) | LMNATSHRALOX12ACHECES2 | |
| Maleic Acid SCHEMBL27286439 | 0.73 | ALDH1A1 (0.61) | LMNATSHRALOX12ACHECES2 |
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-5883252-A | HETEROCYCLIC NITROGEN DERIVATIVES; VIRICIDES FOR HUMAN IMMUNODEFICIENCY VIRUS; VACCINES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1999-03-16 | — | — | US | disclosed |