Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NMUR2 | Q9GZQ4 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.31 |
| ▸ | KMO | O15229 | 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 | |
|---|---|---|---|---|
| SCHEMBL29462450 | 0.79 | TYMS (0.50) | TYMSALOX15TDP1ALDH1A1TSHR | |
| SCHEMBL855450 | 0.79 | TYMS (0.50) | TYMSALOX15TDP1ALDH1A1TSHR | |
| SCHEMBL29476090 | 0.79 | ALOX15 (0.42) | TYMSALOX15TDP1ALDH1A1TSHR | |
| SCHEMBL854772 | 0.79 | ALOX15 (0.42) | TYMSALOX15TDP1ALDH1A1TSHR | |
| SCHEMBL8764869 | 0.77 | ALDH1A1 (0.47) | TYMSALOX15TDP1ALDH1A1TSHR | |
| Fluoride Ion SCHEMBL11260088 | 0.76 | TYMS (0.47) | TYMSALOX15TDP1ALDH1A1TSHR | |
| SCHEMBL8849276 | 0.76 | TYMS (0.47) | TYMSALOX15TDP1ALDH1A1TSHR | |
| SCHEMBL855172 | 0.76 | ALDH1A1 (0.43) | TYMSALOX15TDP1ALDH1A1TSHR | |
| SCHEMBL4924952 | 0.76 | ALDH1A1 (0.38) | TYMSALOX15TDP1ALDH1A1TSHR | |
| SCHEMBL854561 | 0.74 | ALDH1A1 (0.41) | TYMSALOX15TDP1ALDH1A1TSHR |
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-5405995-A | Difluorophthalic compounds and their preparation | OCCIDENTAL CHEMICAL CORPORATION (US) | 1995-04-11 | — | — | US | disclosed |