Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 9/20 | 0.59 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 7/20 | 0.46 |
| ▸ | TUBB | P07437 | 7/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 7/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 7/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 7/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 7/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 7/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 7/20 | 0.46 |
| ▸ | TUBB8 | Q3ZCM7 | 7/20 | 0.46 |
| ▸ | TUBA3E | Q6PEY2 | 7/20 | 0.46 |
| ▸ | TUBA1A | Q71U36 | 7/20 | 0.46 |
| ▸ | TUBA1C | Q9BQE3 | 7/20 | 0.46 |
| ▸ | TUBB6 | Q9BUF5 | 7/20 | 0.46 |
| ▸ | TUBB2B | Q9BVA1 | 7/20 | 0.46 |
| ▸ | QPCT | Q16769 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11077563 | 1.00 | TUBB1 (0.59) | TUBB1TBXAS1TUBB4ATUBBTUBA3C | |
| SCHEMBL11078037 | 0.85 | TUBB1 (0.58) | TUBB1TBXAS1TUBB4ATUBBTUBA3C | |
| SCHEMBL11078035 | 0.85 | TUBB1 (0.58) | TUBB1TBXAS1TUBB4ATUBBTUBA3C | |
| SCHEMBL6963677 | 0.76 | CYP19A1 (0.60) | TUBB1TBXAS1ALDH1A1 | |
| SCHEMBL6963682 | 0.76 | CYP19A1 (0.60) | TUBB1TBXAS1ALDH1A1 | |
| SCHEMBL11077393 | 0.75 | KDM4E (0.51) | TBXAS1ALDH1A1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL11077391 | 0.75 | KDM4E (0.51) | TBXAS1ALDH1A1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL9871631 | 0.72 | CYP1A1 (0.56) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL7284765 | 0.72 | CYP1A1 (0.56) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL11080822 | 0.71 | TBXAS1 (0.57) | TUBB1TBXAS1CYP1A2CYP2D6 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4396771-A | THROMBOEMBOLIC DISORDERS, SHOCK | BURROUGHS WELLCOME CO. (US) | 1983-08-02 | — | — | US | claimed |
| US-4431815-A | CARDIOTONIC AND ANTISHOCK AGENTS; ANTICOAGULANTS | BURROUGHS WELLCOME CO. (US) | 1984-02-14 | — | — | US | disclosed |
| US-4425354-A | CARDIOVASCULAR DISORDERS | BURROUGHS WELLCOME CO. (US) | 1984-01-10 | — | — | US | disclosed |
| EP-0003732-B1 | IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THEREOF | THE WELLCOME FOUNDATION LIMITED (GB) | 1983-10-19 | — | — | EP | disclosed |
| US-4405634-A | Imidazole derivatives for treating myocardial infarction | BURROUGHS WELLCOME CO. (US) | 1983-09-20 | — | — | US | disclosed |
| US-4396771-A | THROMBOEMBOLIC DISORDERS, SHOCK | BURROUGHS WELLCOME CO. (US) | 1983-08-02 | — | — | US | disclosed |
| US-4357340-A | Imidazole derivatives and angina pectoris | BURROUGHS WELLCOME CO. (US) | 1982-11-02 | — | — | US | disclosed |
| EP-0003732-A2 | Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations thereof | THE WELLCOME FOUNDATION LIMITED (GB) | 1979-09-05 | — | — | EP | disclosed |