Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7413745 | 0.87 | ALDH1A1 (0.44) | ALDH1A1LMNAESR1CHRM1TSHR | |
| SCHEMBL7415710 | 0.79 | TSHR (0.47) | ALDH1A1LMNAESR1TSHRTDP1 | |
| SCHEMBL6035356 | 0.75 | CYP1A2 (0.42) | ALDH1A1LMNAESR1TSHR | |
| SCHEMBL7417118 | 0.74 | TSHR (0.43) | ALDH1A1LMNAESR1TSHRTDP1 | |
| SCHEMBL7420677 | 0.74 | TSHR (0.43) | ALDH1A1LMNAESR1TSHRTDP1 | |
| SCHEMBL7423798 | 0.74 | ALDH1A1 (0.36) | ALDH1A1LMNAESR1CHRM1TSHR | |
| SCHEMBL7411501 | 0.73 | ALDH1A1 (0.35) | ALDH1A1LMNAESR1CHRM1TSHR | |
| SCHEMBL6411805 | 0.71 | GAA (0.36) | ALDH1A1LMNAESR1TSHRTDP1 | |
| SCHEMBL7418768 | 0.67 | TSHR (0.38) | ALDH1A1LMNAESR1TSHRTDP1 | |
| SCHEMBL6421365 | 0.66 | NPSR1 (0.38) | ALDH1A1LMNATSHRTDP1RAB9A |
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-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 |