Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.54 |
| ▸ | HTR2C | P28335 | 2/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.54 |
| ▸ | HTR7 | P34969 | 1/20 | 0.54 |
| ▸ | HTR6 | P50406 | 1/20 | 0.54 |
| ▸ | TERT | O14746 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | PSMB11 | A5LHX3 | 1/20 | 0.46 |
| ▸ | PSMA7 | O14818 | 1/20 | 0.46 |
| ▸ | PSMB1 | P20618 | 1/20 | 0.46 |
| ▸ | PSMA1 | P25786 | 1/20 | 0.46 |
| ▸ | PSMA2 | P25787 | 1/20 | 0.46 |
| ▸ | PSMA3 | P25788 | 1/20 | 0.46 |
| ▸ | PSMA4 | P25789 | 1/20 | 0.46 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.46 |
| ▸ | PSMB9 | P28065 | 1/20 | 0.46 |
| ▸ | PSMA5 | P28066 | 1/20 | 0.46 |
| ▸ | PSMB4 | P28070 | 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 | |
|---|---|---|---|---|
| SCHEMBL7731020 | 1.00 | HTR1A (0.54) | HTR1AHTR2CHTR2ASLC6A4HTR7 | |
| SCHEMBL7732188 | 0.94 | TERT (0.55) | HTR1AHTR2CHTR2ASLC6A4HTR7 | |
| SCHEMBL7732179 | 0.94 | TERT (0.55) | HTR1AHTR2CHTR2ASLC6A4HTR7 | |
| SCHEMBL7728766 | 0.83 | PSMB11 (0.52) | HTR1AHTR2CHTR2ASLC6A4HTR7 | |
| SCHEMBL7728772 | 0.83 | PSMB11 (0.52) | HTR1AHTR2CHTR2ASLC6A4HTR7 | |
| SCHEMBL7730987 | 0.83 | ADORA2A (0.51) | ALDH1A1HTTCA12CA1CA2 | |
| SCHEMBL7730989 | 0.83 | ADORA2A (0.51) | ALDH1A1HTTCA12CA1CA2 | |
| SCHEMBL8372544 | 0.78 | KMT2A (0.51) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8372545 | 0.78 | KMT2A (0.51) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL30632573 | 0.77 | MEN1 (0.52) | HTR1AALDH1A1HTTCA12CA1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0628311-B1 | Xanthine-Derivatives as Antidepressants | KYOWA HAKKO KOGYO KK (JP) | 2002-04-24 | — | — | EP | disclosed |
| EP-0559893-B1 | XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO KK (JP) | 1999-02-03 | — | — | EP | disclosed |
| US-5543415-A | ADMINISTERING A XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1996-08-06 | — | — | US | disclosed |
| EP-0628311-A1 | ANTIDEPRESSANT | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1994-12-14 | — | — | EP | disclosed |
| EP-0559893-A1 | XANTHINE DERIVATIVE | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1993-09-15 | — | — | EP | disclosed |