Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | CDC25B | P30305 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8086972 | 0.80 | HSD17B10 (0.43) | LMNATSHRHTTCA12CA9 | |
| SCHEMBL8078829 | 0.71 | ALDH1A1 (0.36) | LMNATSHRCA12CA9NAPRT | |
| SCHEMBL2012366 | 0.68 | IDO1 (0.37) | AKR1B1LMNAABCC4GAATSHR | |
| SCHEMBL9754870 | 0.68 | ALDH1A1 (0.39) | TSHRKDM4EALDH1A1 | |
| SCHEMBL8488065 | 0.67 | AKR1B1 (0.46) | AKR1B1LMNAABCC4GAATSHR | |
| SCHEMBL27848247 | 0.65 | PTPN1 (0.50) | AKR1B1LMNAABCC4GAATSHR | |
| SCHEMBL3096746 | 0.65 | APAF1 (0.33) | LMNATSHRCA12TDP1APEX1 | |
| SCHEMBL7827157 | 0.65 | AKR1B1 (0.67) | AKR1B1LMNAABCC4GAATSHR | |
| Phenylacetic Acid SCHEMBL28218631 | 0.64 | AKR1B1 (0.94) | AKR1B1LMNAABCC4GAATSHR | |
| SCHEMBL11096875 | 0.63 | AKR1B1 (0.38) | AKR1B1LMNAABCC4GAATSHR |
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-6080743-A | AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS | NOVARTIS AG (CH) | 2000-06-27 | — | — | US | disclosed |
| EP-0853617-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | Novartis AG (CH) | 1998-07-22 | — | — | EP | disclosed |
| WO-1997008155-A1 | NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES | NOVARTIS AG (CH) | 1997-03-06 | — | — | WO | disclosed |