Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 5/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | SOS1 | Q07889 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL31456176 | 0.83 | VCAM1 (0.55) | VCAM1NAMPTHTR2AHTR2CKMT2A | |
| SCHEMBL4318681 | 0.81 | VCAM1 (0.57) | VCAM1KMT2ATDP1HTR6ALDH1A1 | |
| SCHEMBL30838118 | 0.81 | VCAM1 (0.57) | VCAM1KMT2ATDP1HTR6ALDH1A1 | |
| SCHEMBL5320429 | 0.78 | ALDH1A1 (0.64) | NAMPTKMT2AALDH1A1CYP3A4MAPK1 | |
| SCHEMBL5321788 | 0.78 | CA2 (0.51) | VCAM1NAMPTHTR2AHTR2CHTR6 | |
| SCHEMBL4189942 | 0.77 | HTR2C (0.50) | VCAM1HTR2AHTR2CKMT2ATDP1 | |
| SCHEMBL896163 | 0.77 | HTT (0.42) | ALDH1A1 | |
| SCHEMBL586329 | 0.76 | HTR6 (0.58) | VCAM1HTR2AHTR2CKMT2ATDP1 | |
| SCHEMBL6224571 | 0.76 | HTR6 (0.58) | NAMPTHTR2AHTR2CHTR6SMN1; SMN2 | |
| SCHEMBL23432028 | 0.74 | HTR6 (0.64) | VCAM1KMT2ATDP1HTR6LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007114916-A2 | ARYLBENZYLPIPERIDINE COMPOUNDS | H. LUNDBECK A/S (DK) | 2007-10-11 | — | — | WO | disclosed |