Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL689904 | 0.85 | MAPT (0.60) | TSHRTP53CA1CA2ESR1 | |
| SCHEMBL688593 | 0.85 | MAPT (0.60) | TSHRTP53CA1CA2ESR1 | |
| SCHEMBL688592 | 0.85 | MAPT (0.60) | TSHRTP53CA1CA2ESR1 | |
| SCHEMBL6265291 | 0.83 | KDM4E (0.46) | ESR1ESR2KDM4EMAPTHPGD | |
| SCHEMBL5176455 | 0.82 | ESR1 (0.49) | TSHRTP53CA1CA2ESR1 | |
| SCHEMBL5176447 | 0.82 | ESR1 (0.49) | TSHRTP53CA1CA2ESR1 | |
| SCHEMBL9239746 | 0.81 | ALDH1A1 (0.46) | ESR1ESR2KDM4EMAPTHPGD | |
| SCHEMBL8442966 | 0.79 | THRA (0.43) | ESR1ESR2KDM4EMAPTHPGD | |
| SCHEMBL27897956 | 0.79 | AKT1 (0.51) | TSHRTP53CA1CA2ESR1 | |
| SCHEMBL2106714 | 0.79 | HTT (0.46) | KDM4EMAPTHPGDHSD17B10MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5939563-A | FUNGICIDES | ZENECA LIMITED (GB) | 1999-08-17 | — | — | US | disclosed |
| US-5777162-A | Intermediates for the preparation of fungicides | ZENECA LIMITED (GB) | 1998-07-07 | — | — | US | disclosed |
| US-5773445-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1998-06-30 | — | — | US | disclosed |