Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.36 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8429753 | 1.00 | TSHR (0.45) | TSHRCES2CES1KMT2AALDH1A1 | |
| SCHEMBL13767001 | 0.79 | CES2 (0.50) | TSHRCES2CES1KMT2AALDH1A1 | |
| SCHEMBL10433489 | 0.78 | TSHR (0.48) | TSHRKMT2AALDH1A1HPGDRAB9A | |
| SCHEMBL16053233 | 0.78 | CES2 (0.45) | TSHRCES2CES1KMT2AALDH1A1 | |
| SCHEMBL17448574 | 0.78 | CES2 (0.45) | TSHRCES2CES1KMT2AALDH1A1 | |
| SCHEMBL30729426 | 0.77 | CES2 (0.48) | TSHRCES2CES1KMT2AALDH1A1 | |
| SCHEMBL24579284 | 0.76 | CES2 (0.43) | TSHRCES2CES1KMT2AALDH1A1 | |
| SCHEMBL8428660 | 0.76 | CA1 (0.46) | TSHRRAB9ASMN1; SMN2 | |
| SCHEMBL11744885 | 0.76 | CES2 (0.48) | TSHRCES2CES1KMT2AALDH1A1 | |
| SCHEMBL17266590 | 0.76 | CES2 (0.43) | TSHRCES2CES1KMT2AALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5973156-A | Piperidine and tetrahydropyridine derivatives | MERCK SHARP & DOME LTD. (GB) | 1999-10-26 | — | — | US | disclosed |
| EP-0861245-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LTD. (GB) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997019073-A1 | PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES | MERCK SHARP & DOHME LIMITED (GB) | 1997-05-29 | — | — | WO | disclosed |