Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8669564 | 0.75 | GABRA2 (0.51) | CYP1A2ALDH1A1KMT2AMAPTNPC1 | |
| SCHEMBL10817921 | 0.71 | TSHR (0.60) | CYP1A2ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL13860587 | 0.70 | CYP1A2 (0.49) | CYP1A2ALDH1A1KMT2AMAPTMEN1 | |
| Hydrochloric Acid SCHEMBL28351166 | 0.70 | TSHR (0.59) | CYP1A2ALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL11175360 | 0.70 | KMT2A (0.42) | CYP1A2KMT2ATSHRJMJD6ADORA3 | |
| SCHEMBL1233517 | 0.70 | BAZ2B (0.54) | CYP1A2KMT2AMAPTNPC1RAB9A | |
| SCHEMBL1739337 | 0.69 | ALDH1A1 (0.61) | CYP1A2ALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL4757861 | 0.69 | CYP1A2 (0.51) | CYP1A2ALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL1075020 | 0.69 | CYP1A2 (0.51) | CYP1A2ALDH1A1KMT2AMAPTMEN1 | |
| SCHEMBL10436784 | 0.69 | KMT2A (0.56) | CYP1A2ALDH1A1KMT2AMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0958292-B1 | 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES | BASF AG (DE) | 2007-01-03 | — | — | EP | disclosed |
| US-6165944-A | 4-(3-heterocyclyl-1-benzoyl) pyrazoles and their use as herbicides | BASF AKTIENGESELLSCHAFT (DE) | 2000-12-26 | — | — | US | disclosed |
| US-6004903-A | 2-Anylocyclohexanediones having improved herbicidal properties | BASF AKTIENGESELLSCHAFT (DE) | 1999-12-21 | — | — | US | disclosed |