Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 6/20 | 0.55 |
| ▸ | DHODH | Q02127 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.41 |
| ▸ | HTR1B | P28222 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7247940 | 0.88 | DHODH (0.49) | CHEK1DHODHHTR2ATRPM4HTR1B | |
| SCHEMBL7872608 | 0.81 | HPRT1 (0.50) | CHEK1HTR1BCYP1A2CYP2C19MPO | |
| SCHEMBL28433974 | 0.81 | TRPM4 (0.41) | CHEK1DHODHHTR2ATRPM4CYP1A2 | |
| SCHEMBL7360080 | 0.81 | TRPM4 (0.41) | CHEK1DHODHHTR2ATRPM4CYP1A2 | |
| SCHEMBL8517693 | 0.79 | HTR2A (0.56) | HTR2ATRPM4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL28920933 | 0.79 | TRPM4 (0.44) | CHEK1DHODHHTR2ATRPM4CYP1A2 | |
| SCHEMBL17537720 | 0.79 | CHEK1 (0.47) | CHEK1HTR2AHTR1BCYP1A2CYP2D6 | |
| SCHEMBL31205820 | 0.78 | TRPM4 (0.38) | CHEK1DHODHTRPM4CYP1A2ALDH1A1 | |
| SCHEMBL31205674 | 0.78 | TRPM4 (0.38) | CHEK1DHODHHTR2ATRPM4CYP1A2 | |
| SCHEMBL11129027 | 0.77 | HTR2A (0.48) | CHEK1HTR2AHTR1BMPOSLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6307090-B1 | OXALYL ENDCAPPED; CONTAINING A BIVALENT RADICAL OF PHOSPHOTYROSINE OR A PHOSPHOTYROSINE MIMETIC | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2001-10-23 | — | — | US | disclosed |
| EP-0846127-A1 | ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY | Novartis AG (CH) | 1998-06-10 | — | — | EP | disclosed |
| WO-1997008193-A1 | ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY | NOVARTIS AG (CH) | 1997-03-06 | — | — | WO | disclosed |