Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.49 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 3/20 | 0.42 |
| ▸ | HTR6 | P50406 | 3/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | HTR1D | P28221 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4623327 | 0.73 | ALDH1A1 (0.53) | ADRB2KDM4EMAPTTDP1ALDH1A1 | |
| SCHEMBL15373471 | 0.73 | NR1I2 (0.51) | KDM4EMAPTALDH1A1HSD17B10MAPK1 | |
| SCHEMBL296024 | 0.70 | KEAP1 (0.47) | KDM4EMAPTALDH1A1HSD17B10MAPK1 | |
| SCHEMBL15704609 | 0.70 | HPGD (0.47) | KDM4EMAPTALDH1A1HSD17B10MAPK1 | |
| SCHEMBL14319825 | 0.70 | CYP3A4 (0.49) | KDM4EMAPTALDH1A1CYP3A4HTR6 | |
| SCHEMBL2233005 | 0.70 | ADRB2 (1.00) | ADRB2KDM4EMAPTTDP1ALDH1A1 | |
| SCHEMBL4424885 | 0.70 | NQO2 (0.57) | KDM4EMAPTALDH1A1HSD17B10MAPK1 | |
| SCHEMBL17829970 | 0.69 | HTR6 (0.75) | KDM4EMAPTALDH1A1CYP3A4HTR7 | |
| Hydrochloric Acid SCHEMBL2535761 | 0.69 | ADRB2 (0.97) | ADRB2KDM4EMAPTTDP1ALDH1A1 | |
| Bromide SCHEMBL8994861 | 0.69 | ADRB2 (0.97) | ADRB2KDM4EMAPTTDP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1344270-A | Functionalized heterocycles as chemokine receptor modulators | THOUSAND YEARS MEDICAMENTS INC (US) | 2002-04-10 | — | — | CN | disclosed |
| EP-1144415-A2 | FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS | WARNER-LAMBERT COMPANY (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000042045-A2 | FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS | WARNER-LAMBERT COMPANY (US) | 2000-07-20 | — | — | WO | disclosed |