Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL107178 | 0.80 | TSHR (0.55) | TSHRCES2CES1AKR1B1POLB | |
| SCHEMBL4725179 | 0.80 | TSHR (0.55) | TSHRCES2CES1AKR1B1POLB | |
| SCHEMBL8203182 | 0.79 | TSHR (0.53) | TSHRCES2CES1AKR1B1POLB | |
| SCHEMBL331007 | 0.78 | TSHR (0.57) | TSHRCES2CES1AKR1B1POLB | |
| SCHEMBL27515560 | 0.76 | CES2 (0.45) | TSHRCES2CES1AKR1B1EPHX1 | |
| SCHEMBL29250507 | 0.76 | EPHX1 (0.55) | TSHRCES2CES1AKR1B1EPHX1 | |
| SCHEMBL28264488 | 0.76 | EPHX1 (0.55) | EPHX1POLBNPC1RAB9ACYP1A2 | |
| SCHEMBL28547858 | 0.75 | TSHR (0.53) | TSHRCES2CES1AKR1B1POLB | |
| SCHEMBL2334514 | 0.75 | AKR1B1 (0.58) | TSHRCES2CES1AKR1B1POLB | |
| SCHEMBL5247831 | 0.75 | TSHR (0.53) | TSHRCES2CES1AKR1B1POLB |
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-1613606-A4 | METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES | NPS PHARMA INC (US) | 2008-12-03 | — | — | EP | disclosed |
| EP-1613606-A2 | METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES | NPS PHARMACEUTICALS, INC. (US) | 2006-01-11 | — | — | EP | disclosed |
| WO-2004092121-A2 | METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES | NPS PHARMACEUTICALS, INC. (US) | 2004-10-28 | — | — | WO | disclosed |