Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 4/20 | 0.63 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.55 |
| ▸ | CYP26B1 | Q9NR63 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5751200 | 0.93 | RXRA (0.61) | RXRACYP26A1CYP26B1TSHRDAO | |
| SCHEMBL8121006 | 0.83 | RXRA (0.41) | RXRAAKR1C1 | |
| SCHEMBL7663747 | 0.80 | RXRA (0.42) | RXRACYP26A1CYP26B1TSHRCES2 | |
| SCHEMBL2610306 | 0.79 | CYP26B1 (0.51) | RXRACYP26A1CYP26B1CYP2C9ALDH1A1 | |
| SCHEMBL5894384 | 0.78 | RXRA (1.00) | RXRACYP26A1CYP26B1RXRB | |
| SCHEMBL18123696 | 0.77 | RXRA (0.39) | RXRACYP26A1CYP26B1ALDH1A1LMNA | |
| SCHEMBL697822 | 0.76 | TSHR (0.55) | RXRACYP26A1CYP26B1TSHRTP53 | |
| SCHEMBL11616948 | 0.74 | CYP26A1 (0.39) | RXRACYP26A1CYP26B1CYP2C9 | |
| SCHEMBL9792489 | 0.73 | LMNA (0.37) | RXRALMNA | |
| SCHEMBL8439272 | 0.72 | RXRA (0.58) | RXRACYP26A1CYP26B1TSHRDAO |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5998433-A | THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-12-07 | — | — | US | disclosed |
| CN-1160403-A | Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-09-24 | — | — | CN | disclosed |
| EP-0785939-A1 | SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 1997-07-30 | — | — | EP | disclosed |
| WO-1996011201-A1 | SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-04-18 | — | — | WO | disclosed |