Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | CETP | P11597 | 3/20 | 0.46 |
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 5/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL19024795 | 0.91 | CETP (0.54) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL19024779 | 0.91 | CETP (0.54) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL19024672 | 0.91 | CETP (0.54) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL19024775 | 0.91 | CETP (0.54) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL19024834 | 0.91 | CETP (0.54) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL19024919 | 0.91 | CETP (0.54) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL19024799 | 0.91 | CETP (0.54) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL28607725 | 0.89 | CETP (0.52) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL27800092 | 0.89 | CETP (0.52) | ALDH1A1CYP3A4TSHRMAPK1TDP1 | |
| SCHEMBL19024943 | 0.89 | CETP (0.52) | ALDH1A1CYP3A4TSHRMAPK1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8877749-B2 | Spirocyclic compounds as modulators of chemokine receptor activity | Bristol-Myers Squibbs Company (US) | 2014-11-04 | — | — | US | disclosed |