Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | HMGCR | P04035 | 10/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MVD | P53602 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | CTSA | P10619 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7989596 | 0.81 | CYP2D6 (0.41) | CYP2D6HIF1APOLBMVDMAPT | |
| SCHEMBL7882568 | 0.79 | CYP2D6 (0.38) | CYP2D6HIF1AHMGCRPOLBMVD | |
| SCHEMBL7998419 | 0.76 | MVD (0.38) | CYP2D6HIF1AHMGCRPOLBMVD | |
| SCHEMBL6016751 | 0.75 | HMGCR (0.39) | HMGCRPOLBCTSAACHEKDM4E | |
| SCHEMBL8002512 | 0.73 | GMNN (0.42) | CYP2D6HIF1APOLBMVDMAPT | |
| SCHEMBL5324634 | 0.72 | GABRP (0.43) | HMGCRPOLB | |
| SCHEMBL5327876 | 0.70 | FOLH1 (0.42) | HMGCRPOLBCTSAACHE | |
| SCHEMBL2203031 | 0.69 | — | — | |
| SCHEMBL8385734 | 0.69 | ALDH1A1 (0.44) | MEN1KMT2AHSD17B10 | |
| SCHEMBL4271792 | 0.68 | — | — |
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-0944635-A4 | DIPHOSPHONATE THERAPEUTIC COMPOUNDS | ELIZANOR BIOPHARMACEUTICALS IN (US) | 2000-07-05 | — | — | EP | claimed |
| EP-0944635-A1 | DIPHOSPHONATE THERAPEUTIC COMPOUNDS | Elizanor Biopharmaceuticals, Inc. (US) | 1999-09-29 | — | — | EP | claimed |
| WO-1998015560-A1 | DIPHOSPHONATE THERAPEUTIC COMPOUNDS | ELIZANOR BIOPHARMACEUTICALS, INC. (US) | 1998-04-16 | — | — | WO | claimed |