Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.43 |
| ▸ | TUBB | P07437 | 2/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.43 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.43 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.43 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.43 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.43 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.43 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.43 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.43 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.43 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.43 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2096170 | 0.72 | ERN1 (0.55) | ALDH1A1CYP3A4CYP1A1CYP1B1CYP1A2 | |
| SCHEMBL29811646 | 0.70 | ALDH1A1 (0.61) | ALDH1A1CYP3A4ABL1KDM4ETRPV4 | |
| SCHEMBL171279 | 0.70 | ALDH1A1 (0.61) | ALDH1A1CYP3A4ABL1KDM4ETRPV4 | |
| SCHEMBL8504988 | 0.70 | ALDH1A1 (0.45) | ALDH1A1CYP3A4CYP1A2MAPTMEN1 | |
| Hydrochloric Acid SCHEMBL365098 | 0.69 | ALDH1A1 (0.61) | ALDH1A1CYP3A4CYP1A2MAPTMEN1 | |
| SCHEMBL3783733 | 0.68 | TDP1 (0.48) | ALDH1A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL6951763 | 0.68 | RECQL (0.50) | ALDH1A1CYP3A4ABL1MAPTLMNA | |
| SCHEMBL6953710 | 0.68 | ALDH1A1 (0.42) | ALDH1A1CYP3A4TUBB4ATUBBTUBA3C | |
| SCHEMBL92069 | 0.67 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP1A2ABL1MAPT | |
| SCHEMBL29565516 | 0.67 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP1A2ABL1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5885979-A | SQUALENE SYNTHETASE INHIBITOR TREATING OR PREVENTING HYPERLIPIDEMIA | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-03-23 | — | — | US | disclosed |