Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 1/20 | 0.43 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.39 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9735407 | 0.86 | TSHR (0.45) | KMT2AALDH1A1 | |
| SCHEMBL10982433 | 0.76 | ALOX15 (0.43) | GRM2DRD3ALDH1A1 | |
| SCHEMBL11606814 | 0.73 | — | — | |
| SCHEMBL11604438 | 0.70 | — | — | |
| SCHEMBL11606457 | 0.70 | GBA1 (0.34) | — | |
| SCHEMBL9736111 | 0.69 | CYP3A4 (0.32) | ALDH1A1 | |
| SCHEMBL11444315 | 0.69 | MAPT (0.44) | KMT2AALDH1A1 | |
| SCHEMBL10994247 | 0.68 | DRD2 (0.34) | DRD3KCNH2ALDH1A1 | |
| SCHEMBL10967769 | 0.67 | ALDH1A1 (0.47) | GRM2DRD3KCNH2KMT2AALDH1A1 | |
| SCHEMBL11606237 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5114466-A | Plant growth regulators for weeds in a rice paddy | MITSUI TOATSU CHEMICALS, INC. (JP) | 1992-05-19 | — | — | US | disclosed |
| EP-0402893-A1 | 1-(3-substituted benzyl)-3-halogeno-4-(1-halogenoalkyl)-2-pyrrolidinone derivatives and herbicides containing them | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-12-19 | — | — | EP | disclosed |
| US-4119636-A | FROM N-ALKENYL HALOMETHYL AMIDES, FERROUS ION CATALYST | STAUFFER CHEMICAL COMPANY (US) | 1978-10-10 | — | — | US | disclosed |
| US-4069038-A | Acyclic and alicyclic N-substituted halo-2-pyrrolidinones and their utility as herbicides | STAUFFER CHEMICAL COMPANY (US) | 1978-01-17 | — | — | US | disclosed |