Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | GSK3B | P49841 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | CASP3 | P42574 | 1/20 | 0.52 |
| ▸ | CASP2 | P42575 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 6/20 | 0.48 |
| ▸ | NPC1 | O15118 | 5/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3229709 | 0.83 | TSHR (0.58) | TSHRGSK3BKDM4ECASP3CASP2 | |
| SCHEMBL4043837 | 0.80 | MEN1 (0.68) | TSHRKDM4EHDAC1ALDH1A1MEN1 | |
| SCHEMBL30433221 | 0.78 | TSHR (0.59) | TSHRKDM4EHDAC1GAAALDH1A1 | |
| SCHEMBL9010904 | 0.77 | TSHR (0.51) | TSHRKDM4EHDAC1ALDH1A1MEN1 | |
| SCHEMBL3240216 | 0.76 | TSHR (0.58) | TSHRKDM4EHDAC1GAAALDH1A1 | |
| SCHEMBL29032333 | 0.75 | AR (0.60) | TSHRKDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL9010792 | 0.74 | TSHR (0.55) | TSHRKDM4EHDAC1GAAALDH1A1 | |
| SCHEMBL9784423 | 0.73 | KDM4E (0.68) | TSHRKDM4EHDAC1GAARAB9A | |
| SCHEMBL29528205 | 0.73 | CTSC (0.56) | TSHRKDM4EHDAC1ALDH1A1MEN1 | |
| SCHEMBL3127881 | 0.73 | HDAC1 (0.62) | TSHRKDM4EHDAC1GAAALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5547984-A | FUNGICIDES | ROHM AND HAAS COMPANY (US) | 1996-08-20 | — | — | US | disclosed |
| US-5529978-A | FUNGICIDE | ROHM AND HAAS COMPANY (US) | 1996-06-25 | — | — | US | disclosed |
| US-5344978-A | Fungicides | ROHM AND HAAS COMPANY (US) | 1994-09-06 | — | — | US | disclosed |
| EP-0170498-B1 | N-ACETONYL-SUBSTITUTED-AMIDES, COMPOSITIONS CONTAINING THEM AND THEIR USE IN COMBATING FUNGI | ROHM AND HAAS COMPANY (US) | 1991-09-11 | — | — | EP | disclosed |
| US-4863940-A | N-acetonyl-substituted amides and phytopathogenic fungicidal use thereof | ROHM AND HAAS (US) | 1989-09-05 | — | — | US | disclosed |
| EP-0170498-A2 | N-acetonyl-substituted-amides, compositions containing them and their use in combating fungi | ROHM AND HAAS COMPANY (US) | 1986-02-05 | — | — | EP | disclosed |