Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PMP22 | Q01453 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL27470417 | 1.00 | PMP22 (0.35) | PMP22TP53ALDH1A1TDP1ALOX15 | |
| SCHEMBL28246970 | 0.80 | ECE1 (0.32) | PMP22TP53ALDH1A1TDP1ALOX15 | |
| SCHEMBL8778379 | 0.80 | PMP22 (0.35) | PMP22TP53ALDH1A1TDP1ALOX15 | |
| Hydrochloric Acid SCHEMBL27490661 | 0.78 | PMP22 (0.33) | PMP22TP53ALDH1A1TDP1ALOX15 | |
| SCHEMBL20181606 | 0.78 | PMP22 (0.33) | PMP22TP53BLMKDM4ECYP2C19 | |
| SCHEMBL16232092 | 0.77 | ALDH1A1 (0.50) | PMP22ALDH1A1TDP1 | |
| SCHEMBL7354948 | 0.77 | SLC22A6 (0.39) | PMP22TDP1LMNACYP1A2POLB | |
| SCHEMBL5689593 | 0.77 | SLC22A6 (0.39) | PMP22TDP1LMNACYP1A2POLB | |
| Isovaleramide SCHEMBL30731383 | 0.75 | ALDH1A1 (0.42) | ALDH1A1TDP1POLBCYP2C19ECE1 | |
| SCHEMBL14167181 | 0.73 | KDM4E (0.33) | PMP22TP53ALDH1A1TDP1ALOX15 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999035132-A1 | HETEROCYCLIC COMPOUNDS | GLAXO GROUP LIMITED (GB) | 1999-07-15 | — | — | WO | disclosed |
| EP-0762880-A1 | RETROVIRAL PROTEASE INHIBITOR COMBINATIONS | G.D. SEARLE & CO. (US) | 1997-03-19 | — | — | EP | disclosed |
| WO-1995033464-A2 | RETROVIRAL PROTEASE INHIBITOR COMBINATIONS | G.D. SEARLE & CO. (US) | 1995-12-14 | — | — | WO | disclosed |