Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | THRA | P10827 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.38 |
| ▸ | PLK1 | P53350 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5394263 | 0.73 | ALDH1A1 (0.53) | ALDH1A1HSD17B10HPGDTHRATHRB | |
| SCHEMBL10726430 | 0.72 | NQO1 (0.47) | ALDH1A1CA2CA1HTTKDM4E | |
| SCHEMBL16593920 | 0.72 | CNR2 (0.45) | ALDH1A1HSD17B10HPGDCA2OPRL1 | |
| SCHEMBL1952022 | 0.71 | ALDH1A1 (0.42) | ALDH1A1CA2SMN1; SMN2OPRL1CA1 | |
| SCHEMBL5074036 | 0.71 | TSHR (0.54) | ALDH1A1HSD17B10HPGDTHRATHRB | |
| SCHEMBL19207570 | 0.71 | MAOA (0.54) | SMN1; SMN2OPRL1HTTNPSR1CYP2C9 | |
| SCHEMBL8161742 | 0.71 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HPGDTHRATHRB | |
| SCHEMBL27551549 | 0.71 | ALDH1A1 (0.49) | ALDH1A1HSD17B10HPGDTHRATHRB | |
| SCHEMBL10927156 | 0.71 | CNR2 (0.44) | ALDH1A1CRHBPHTTCRHR2NPSR1 | |
| Formic Acid SCHEMBL28060935 | 0.70 | ALDH1A1 (0.61) | ALDH1A1HSD17B10HPGDTHRATHRB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900198-A1 | NEW VITAMIN D DERIVATIVES WITH CARBO- OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS | Schering Aktiengesellschaft (DE) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997041096-A1 | NEW VITAMIN D DERIVATIVES WITH CARBO- OR HETEROCYCLIC SUBSTITUENTS AT C-25, A PROCESS FOR THEIR PRODUCTION, INTERMEDIATE PRODUCTS AND THEIR USE FOR PRODUCING MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-11-06 | — | — | WO | disclosed |