Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UQCRB | P14927 | 3/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 7/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | RORA | P35398 | 1/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.40 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2748192 | 0.90 | PTPN5 (0.46) | UQCRBHSD17B2RORAPTPN5PSD | |
| SCHEMBL2749970 | 0.86 | MEN1 (0.48) | UQCRBHSD17B2RORAPTPN5ALDH1A1 | |
| SCHEMBL2748545 | 0.74 | HSD17B2 (0.53) | UQCRBHSD17B2CA1CA2PTPN5 | |
| SCHEMBL2748358 | 0.70 | KDM4E (0.52) | UQCRBHSD17B2PSDALDH1A1MEN1 | |
| SCHEMBL27703446 | 0.70 | PTPN5 (0.56) | UQCRBCA1CA2RORAPTPN5 | |
| SCHEMBL1094560 | 0.69 | PTPN5 (0.57) | UQCRBHSD17B2PTPN5 | |
| SCHEMBL3984770 | 0.67 | SERPINE1 (0.58) | UQCRBHSD17B2CA1CA2PTPN5 | |
| SCHEMBL27811906 | 0.67 | ALDH1A1 (0.71) | UQCRBCA1CA2RORAALDH1A1 | |
| SCHEMBL29315038 | 0.65 | KIF11 (0.40) | ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL10013444 | 0.64 | HSD17B2 (0.61) | UQCRBHSD17B2CA1CA2RORA |
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-8178699-B2 | Modulators of CCR9 receptor and methods of use thereof | PFIZER INC. (US) | 2012-05-15 | — | — | US | disclosed |