Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 14/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 14/20 | 0.61 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.53 |
| ▸ | TUBB | P07437 | 1/20 | 0.53 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.53 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.53 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.53 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.53 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.53 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.53 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.53 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.53 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.53 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.53 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.53 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.53 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | ENPP3 | O14638 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6602789 | 0.91 | ESR1 (0.62) | ESR1ESR2TUBB4ATUBBTUBA3C | |
| SCHEMBL6600929 | 0.89 | ESR1 (0.61) | ESR1ESR2CNR1 | |
| SCHEMBL6603461 | 0.88 | ESR1 (0.63) | ESR1ESR2TUBB4ATUBBTUBA3C | |
| SCHEMBL6604899 | 0.86 | ESR1 (0.67) | ESR1ESR2TUBB4ATUBBTUBA3C | |
| SCHEMBL30558246 | 0.84 | ESR1 (0.64) | ESR1ESR2CNR1 | |
| SCHEMBL6600800 | 0.82 | ESR1 (0.61) | ESR1ESR2TUBB4ATUBBTUBA3C | |
| SCHEMBL6602020 | 0.81 | ESR1 (0.56) | ESR1ESR2TUBB4ATUBBTUBA3C | |
| SCHEMBL5026252 | 0.81 | CNR1 (0.78) | ESR1ESR2TUBB4ATUBBTUBA3C | |
| SCHEMBL6601387 | 0.80 | ESR1 (0.64) | ESR1ESR2TUBB4ATUBBTUBA3C | |
| SCHEMBL8489816 | 0.80 | ALDH1A1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1072601-B1 | 4-arylpiperidine derivatives for the treatment of pruritus | PFIZER (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-0905132-B1 | Benzothiophenes | LILLY CO ELI (US) | 2004-08-04 | — | — | EP | disclosed |
| EP-1072595-A2 | 4-arylpiperidine derivatives for the treatment of pruritus | PFIZER INC. (US) | 2001-01-31 | — | — | EP | disclosed |
| EP-1072601-A2 | 4-arylpiperidine derivatives for the treatment of pruritus | PFIZER INC. (US) | 2001-01-31 | — | — | EP | disclosed |
| US-6060488-A | ANTICARCINOGENIC AGENTS; POSTMENOPAUSAL CANCER OF BREASTS, UTERUS, CERVIX | ELI LILLY AND COMPANY (US) | 2000-05-09 | — | — | US | disclosed |
| EP-0905132-A1 | Benzothiophenes | ELI LILLY AND COMPANY (US) | 1999-03-31 | — | — | EP | disclosed |