Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | BAZ2B | Q9UIF8 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | MC4R | P32245 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | MC3R | P41968 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8429810 | 1.00 | KDM4E (0.44) | KDM4ENAPRTHCAR2TSHRBAZ2B | |
| SCHEMBL7702024 | 0.79 | KDM4E (0.50) | KDM4ENAPRTHCAR2TSHRBAZ2B | |
| SCHEMBL8779937 | 0.75 | KDM4E (0.47) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| SCHEMBL8779941 | 0.75 | KDM4E (0.47) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| SCHEMBL27923673 | 0.72 | — | — | |
| SCHEMBL8478753 | 0.72 | KDM4E (0.57) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| SCHEMBL8478756 | 0.72 | KDM4E (0.57) | KDM4ENAPRTHCAR2TSHRADORA3 | |
| SCHEMBL8427957 | 0.69 | CA12 (0.40) | KDM4ETSHRGAASMN1; SMN2POLB | |
| SCHEMBL8427959 | 0.69 | CA12 (0.40) | KDM4ETSHRGAASMN1; SMN2POLB | |
| SCHEMBL3504579 | 0.69 | — | — |
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 |