Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 13/20 | 0.49 |
| ▸ | ESR2 | Q92731 | 13/20 | 0.49 |
| ▸ | CNR1 | P21554 | 2/20 | 0.49 |
| ▸ | CNR2 | P34972 | 2/20 | 0.49 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.46 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.46 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.46 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.46 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.46 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.46 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.46 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.46 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6836607 | 0.90 | ESR1 (0.49) | ESR1ESR2CNR1ALDH1A1CYP2D6 | |
| SCHEMBL6773072 | 0.85 | ESR1 (0.52) | ESR1ESR2CNR1CNR2TUBB4A | |
| Hydrochloric Acid SCHEMBL6767153 | 0.84 | ESR1 (0.53) | ESR1ESR2CNR1CNR2TUBB4A | |
| SCHEMBL6836557 | 0.80 | ESR1 (0.54) | ESR1ESR2CNR1ALDH1A1CYP2D6 | |
| SCHEMBL6773068 | 0.77 | ESR1 (0.66) | ESR1ESR2CNR1CNR2TUBB4A | |
| Hydrochloric Acid SCHEMBL6767144 | 0.76 | ESR1 (0.67) | ESR1ESR2CNR1TUBB4ATUBB | |
| SCHEMBL6765919 | 0.75 | ESR1 (0.56) | ESR1ESR2CNR1ALDH1A1CYP2D6 | |
| SCHEMBL7104458 | 0.75 | CNR2 (0.76) | ESR1ESR2CNR1CNR2TUBB4A | |
| SCHEMBL11547494 | 0.75 | CNR2 (0.76) | ESR1ESR2CNR1CNR2TUBB4A | |
| Hydrochloric Acid SCHEMBL6767212 | 0.74 | ESR1 (0.55) | ESR1ESR2CNR1ALDH1A1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6756388-B1 | HAVING PIPERIDINYL AND PHENOLIC FUNCTIONALITY; BONE LOSS; BREAST OR PROSTATE CANCER | PFIZER INC. | 2004-06-29 | — | — | US | disclosed |
| EP-0723537-A1 | BENZOTHIOPHENES AND RELATED COMPOUNDS AS ESTROGEN AGONISTS | PFIZER INC. (US) | 1996-07-31 | — | — | EP | disclosed |
| WO-1995010513-A1 | BENZOTHIOPHENES AND RELATED COMPOUNDS AS ESTROGEN AGONISTS | PFIZER INC. (US) | 1995-04-20 | — | — | WO | disclosed |