Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 9/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | CDC25B | P30305 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | CCR6 | P51684 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7364978 | 0.87 | MAPT (0.52) | TSHRCES2CES1MAPTALDH1A1 | |
| SCHEMBL7366041 | 0.85 | VCAM1 (0.60) | TSHRMAPTALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL5216739 | 0.82 | CDC25B (0.71) | TSHRCES2CES1MAPTALDH1A1 | |
| SCHEMBL7359436 | 0.79 | TP53 (0.57) | TSHRCES2CES1MAPTALDH1A1 | |
| SCHEMBL17303445 | 0.77 | TSHR (0.77) | TSHRCES2CES1MAPTALDH1A1 | |
| SCHEMBL6771947 | 0.77 | ITGB1 (0.50) | TSHRCES2CES1MAPTALDH1A1 | |
| SCHEMBL7369534 | 0.77 | ALDH1A1 (0.48) | TSHRMAPTALDH1A1NPC1RAB9A | |
| SCHEMBL8408501 | 0.76 | CES2 (0.77) | TSHRCES2CES1MAPTALDH1A1 | |
| SCHEMBL7362610 | 0.76 | ALDH1A1 (0.61) | TSHRMAPTALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL177231 | 0.75 | TSHR (1.00) | TSHRCES2CES1MAPTALDH1A1 |
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-5716954-A | ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES | SYNTEX U.S.A. INC. (US) | 1998-02-10 | — | — | US | disclosed |
| EP-0612321-A1 | PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY | SYNTEX (U.S.A.) INC. (US) | 1994-08-31 | — | — | EP | disclosed |
| WO-1993007146-A1 | BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY | SYNTEX (U.S.A.) INC. (US) | 1993-04-15 | — | — | WO | disclosed |