Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6412627 | 0.95 | NPC1 (0.49) | TSHRL3MBTL1TDP1ALDH1A1CYP1A2 | |
| SCHEMBL6418036 | 0.95 | NPC1 (0.49) | TSHRL3MBTL1TDP1ALDH1A1CYP1A2 | |
| SCHEMBL6417625 | 0.91 | ALDH1A1 (0.44) | TSHRTDP1ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL6414909 | 0.85 | ALDH1A1 (0.41) | TSHRL3MBTL1TDP1ALDH1A1CYP1A2 | |
| SCHEMBL6421359 | 0.77 | ABCG2 (0.61) | ALDH1A1KDM4EHPGDLMNAMEN1 | |
| SCHEMBL6441331 | 0.76 | SIRT2 (0.41) | L3MBTL1ALDH1A1CYP1A2SMN1; SMN2KDM4E | |
| SCHEMBL27255483 | 0.76 | TOP1 (0.67) | TSHRCYP1A2CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL6413625 | 0.75 | STAT3 (0.38) | TSHRTDP1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL12190736 | 0.75 | TOP1 (0.55) | TSHRALDH1A1CYP1A2CYP2C19SMN1; SMN2 | |
| SCHEMBL7704554 | 0.74 | ABCG2 (0.49) | TSHRALDH1A1CYP1A2CYP2C19CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1071474-B1 | SUBSTITUTED PORPHYRINS | UNIV DUKE (US) | 2005-11-30 | — | — | EP | disclosed |
| US-6479477-B1 | SUITABLE FOR USE IN MODULATING INTRA- AND EXTRACELLULAR PROCESSES IN WHICH SUPEROXIDE RADICALS, OR OTHER OXIDANTS SUCH AS HYDROGEN PEROXIDE OR PEROXYNITRITE, ARE A PARTICIPANT | DUKE UNIVERSITY | 2002-11-12 | — | — | US | disclosed |
| WO-1999055388-A9 | SUBSTITUTED PORPHYRINS | UNIV DUKE (US) | 2000-01-27 | — | — | WO | disclosed |