Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | MMP13 | P45452 | 1/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8803794 | 0.99 | MEN1 (0.59) | ALDH1A1KDM4ETSHRSMN1; SMN2MEN1 | |
| SCHEMBL19326702 | 0.87 | MEN1 (0.61) | ALDH1A1KDM4ETSHRSMN1; SMN2MEN1 | |
| SCHEMBL19326700 | 0.87 | MEN1 (0.61) | ALDH1A1KDM4ETSHRSMN1; SMN2MEN1 | |
| SCHEMBL16892220 | 0.86 | SCN9A (0.55) | ALDH1A1KDM4ETSHRSMN1; SMN2MEN1 | |
| SCHEMBL16892163 | 0.84 | MAOB (0.57) | — | |
| SCHEMBL8843410 | 0.84 | ALDH1A1 (0.55) | ALDH1A1KDM4ETSHRSMN1; SMN2MEN1 | |
| SCHEMBL16892156 | 0.84 | KDM4E (0.51) | ALDH1A1KDM4E | |
| SCHEMBL16798976 | 0.83 | HSD17B10 (0.59) | ALDH1A1KDM4ETSHRSMN1; SMN2MEN1 | |
| SCHEMBL16798977 | 0.83 | HSD17B10 (0.59) | ALDH1A1KDM4ETSHRSMN1; SMN2MEN1 | |
| SCHEMBL16892177 | 0.82 | MAOB (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0775140-A1 | SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1997-05-28 | — | — | EP | claimed |
| WO-1996005203-A1 | SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-02-22 | — | — | WO | claimed |
| EP-0775140-A1 | SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 1997-05-28 | — | — | EP | disclosed |
| WO-1996005203-A1 | SPIRO-SUBSTITUTED AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 1996-02-22 | — | — | WO | disclosed |