Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | PTPRA | P18433 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13343107 | 0.82 | SMN1; SMN2 (0.50) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| SCHEMBL29828134 | 0.76 | ALDH1A1 (0.61) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| SCHEMBL211090 | 0.76 | ALDH1A1 (0.61) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| SCHEMBL13320414 | 0.75 | CYP1A2 (0.50) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| Hydrochloric Acid SCHEMBL3374959 | 0.74 | ALDH1A1 (0.59) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| SCHEMBL7527959 | 0.74 | CYP1A2 (0.50) | ALDH1A1CYP1A2SMN1; SMN2KMT2AMAPT | |
| SCHEMBL8558681 | 0.74 | POLB (0.46) | ALDH1A1CYP1A2RAB9ANPC1POLB | |
| SCHEMBL28018657 | 0.73 | CYP1A2 (0.49) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| Acetic Acid SCHEMBL27435803 | 0.73 | CYP1A2 (0.53) | ALDH1A1CYP1A2TSHRRAB9ANPC1 | |
| SCHEMBL6570361 | 0.72 | RAB9A (0.44) | ALDH1A1CYP1A2TSHRRAB9ANPC1 |
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-0983228-A4 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2002-08-07 | — | — | EP | disclosed |
| EP-0983228-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998050342-A1 | PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-11-12 | — | — | WO | disclosed |