Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.44 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 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 | |
|---|---|---|---|---|
| SCHEMBL489367 | 0.72 | CALM1 (0.42) | TAAR1CALM1ALDH1A1NPC1RAB9A | |
| SCHEMBL818602 | 0.69 | CALM1 (0.44) | TAAR1CALM1ALDH1A1LMNACYP1A2 | |
| SCHEMBL8781507 | 0.69 | CALM1 (0.55) | TAAR1CALM1ALDH1A1CCNB2CDK1 | |
| SCHEMBL559143 | 0.68 | MTOR (0.39) | TAAR1ALDH1A1CCNB2CDK1CCNB1 | |
| SCHEMBL6906772 | 0.68 | HSD17B10 (0.52) | ALDH1A1NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL4933630 | 0.67 | — | — | |
| SCHEMBL5408241 | 0.67 | — | — | |
| SCHEMBL4932594 | 0.67 | — | — | |
| SCHEMBL414019 | 0.67 | — | — | |
| SCHEMBL2329762 | 0.65 | TAAR1 (0.42) | TAAR1CALM1ALDH1A1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001092236-A1 | 4-ALKYL HALIDE TRIAZINE COMPOUNDS USED AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-12-06 | — | — | WO | disclosed |
| WO-2001090085-A2 | 6-METHYL-4-TRIHALOMETHYLTRIAZINE COMPOUNDS | BASF AKTIENGESELLSCHAFT (DE) | 2001-11-29 | — | — | WO | disclosed |
| EP-0866367-A2 | Radiation sensitive composition | JSR Corporation (JP) | 1998-09-23 | — | — | EP | disclosed |