Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | ACACB | O00763 | 7/20 | 0.46 |
| ▸ | ACACA | Q13085 | 5/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | TACR3 | P29371 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7733582 | 1.00 | MEN1 (0.54) | MEN1KMT2AACACBACACACA12 | |
| SCHEMBL7733440 | 0.92 | TSHR (0.49) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL7733583 | 0.92 | TSHR (0.49) | MEN1KMT2ACA12CA1CA2 | |
| SCHEMBL7733835 | 0.85 | ADORA2A (0.46) | MEN1KMT2AACACBCA12CA1 | |
| SCHEMBL7734496 | 0.85 | ADORA2A (0.46) | MEN1KMT2AACACBCA12CA1 | |
| SCHEMBL7736428 | 0.83 | MEN1 (0.50) | MEN1KMT2AACACBMTNR1AMTNR1B | |
| SCHEMBL7733850 | 0.83 | MAPK1 (0.42) | ALDH1A1 | |
| SCHEMBL7731987 | 0.83 | MAPK1 (0.42) | ALDH1A1 | |
| SCHEMBL7733448 | 0.83 | UTS2R (0.40) | ACACBALDH1A1 | |
| SCHEMBL7723794 | 0.83 | MEN1 (0.50) | MEN1KMT2AACACBMTNR1AMTNR1B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6399787-B1 | TRANSITION METAL COMPLEX | PENN STATE RESEARCH FOUNDATION | 2002-06-04 | — | — | US | disclosed |
| WO-1999059721-A1 | CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES | THE PENN STATE RESEARCH FOUNDATION (US) | 1999-11-25 | — | — | WO | disclosed |