Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC5 | P28715 | 1/20 | 0.63 |
| ▸ | FEN1 | P39748 | 1/20 | 0.63 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.62 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | TNKS | O95271 | 1/20 | 0.49 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.49 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.49 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.49 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.49 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3580785 | 0.87 | ERCC5 (0.58) | ERCC5FEN1AKR1C3SMN1; SMN2PARP10 | |
| SCHEMBL9168508 | 0.83 | CYP1A2 (0.51) | ERCC5FEN1SMN1; SMN2MAPTCYP2C9 | |
| SCHEMBL397191 | 0.82 | GSK3B (0.50) | ERCC5FEN1SMN1; SMN2MAPTKDM4E | |
| SCHEMBL30512074 | 0.82 | CES2 (0.66) | HDAC8SMN1; SMN2NPC1ALDH1A1LMNA | |
| SCHEMBL139190 | 0.82 | CES2 (0.66) | HDAC8SMN1; SMN2NPC1ALDH1A1LMNA | |
| SCHEMBL1416849 | 0.82 | NR4A2 (0.68) | ALDH1A1FAAH | |
| SCHEMBL11110885 | 0.81 | ERCC5 (0.69) | ERCC5FEN1AKR1C3HDAC8SMN1; SMN2 | |
| SCHEMBL21887184 | 0.81 | AKR1C3 (0.78) | ERCC5FEN1AKR1C3HDAC8NPC1 | |
| SCHEMBL22313390 | 0.80 | CES1 (0.56) | ERCC5FEN1HDAC8SMN1; SMN2NPC1 | |
| SCHEMBL136826 | 0.80 | CES1 (0.56) | ERCC5FEN1HDAC8SMN1; SMN2NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0348002-B1 | Herbicidal acrylonitrile derivatives | SHELL INT RESEARCH (NL) | 1995-04-12 | — | — | EP | disclosed |
| US-5152825-A | HERBICIDAL 2-PYRIDYLOXY-BENZOYL-ACRYLONITRILES | SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) | 1992-10-06 | — | — | US | disclosed |
| US-4988385-A | Plant growth regulators, antigrowth agents for plants | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1991-01-29 | — | — | US | disclosed |
| EP-0348002-A2 | Herbicidal acrylonitrile derivatives | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-12-27 | — | — | EP | disclosed |