Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 6/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.46 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29678265 | 0.81 | MTNR1A (0.78) | MTNR1AMTNR1BHTR2C | |
| SCHEMBL9667745 | 0.78 | SLC6A4 (0.53) | ALDH1A1 | |
| SCHEMBL27893668 | 0.78 | HTT (0.49) | MTNR1AMTNR1B | |
| SCHEMBL9185404 | 0.76 | CYP2C9 (0.59) | KDM4EALDH1A1HPGDEPHX2LMNA | |
| SCHEMBL6529748 | 0.76 | LMNA (0.61) | EPHX2SSTR4LMNAGAA | |
| SCHEMBL9817975 | 0.76 | LMNA (0.61) | EPHX2SSTR4LMNAGAA | |
| SCHEMBL6514206 | 0.76 | LMNA (0.61) | EPHX2SSTR4LMNAGAA | |
| SCHEMBL29609692 | 0.76 | LMNA (0.61) | EPHX2SSTR4LMNAGAA | |
| SCHEMBL29628554 | 0.75 | MMP2 (0.46) | HPGDEPHX2LMNAGAA | |
| SCHEMBL27725216 | 0.75 | CYP2C9 (0.47) | ALDH1A1HPGDLMNAGAA |
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-6399787-B1 | TRANSITION METAL COMPLEX | PENN STATE RESEARCH FOUNDATION | 2002-06-04 | — | — | US | disclosed |