Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11872397 | 0.88 | TDP1 (0.67) | TDP1ALDH1A1AHRERN1 | |
| SCHEMBL609449 | 0.84 | TDP1 (0.69) | TDP1ALDH1A1SMN1; SMN2KDM4EMAPT | |
| SCHEMBL29952819 | 0.84 | TDP1 (0.61) | TDP1ALDH1A1CYP2A6SMN1; SMN2HPGD | |
| SCHEMBL4268830 | 0.84 | TDP1 (0.61) | TDP1ALDH1A1CYP2A6SMN1; SMN2HPGD | |
| SCHEMBL1547171 | 0.82 | TDP1 (0.55) | TDP1ALDH1A1AKR1C2AKR1C1RAB9A | |
| SCHEMBL5181460 | 0.81 | TDP1 (0.53) | TDP1MEN1KMT2AERN1 | |
| SCHEMBL16795437 | 0.79 | ERN1 (0.50) | TDP1ERN1 | |
| SCHEMBL5332809 | 0.77 | TYR (0.50) | ALDH1A1CYP2A6SMN1; SMN2RAB9AHPGD | |
| SCHEMBL7215674 | 0.77 | CYP2A6 (0.40) | TDP1ALDH1A1CYP2A6SMN1; SMN2RAB9A | |
| SCHEMBL8073452 | 0.77 | TDP1 (0.69) | TDP1ALDH1A1CYP2A6SMN1; SMN2RAB9A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1399638-A | Indolocaza * useful as vasopressin receptor antagonists | ORTHO MCNEIL PHARM INC (US) | 2003-02-26 | — | — | CN | disclosed |
| EP-0636367-B1 | Use of phenylalkylamines for producing cholesterol lowering agents | HOFFMANN LA ROCHE (CH) | 2000-03-29 | — | — | EP | disclosed |
| US-5637771-A | Compound useful for lowering cholesterol | HOFFMANN-LA ROCHE INC. (US) | 1997-06-10 | — | — | US | disclosed |
| US-5574071-A | ADMINISTERING PHENYLALKYLAMINO KETONES | HOFFMANN-LA ROCHE INC. (US) | 1996-11-12 | — | — | US | disclosed |
| US-5495048-A | ANTICHOLESTEROL AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1996-02-27 | — | — | US | disclosed |
| EP-0636367-A1 | Use of phenylalkylamines for producing cholesterol lowering agents | F. HOFFMANN-LA ROCHE AG (CH) | 1995-02-01 | — | — | EP | disclosed |