Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | NAAA | Q02083 | 3/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.44 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.44 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | DGAT1 | O75907 | 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 | |
|---|---|---|---|---|
| SCHEMBL8446674 | 0.89 | NPC1 (0.47) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL2435245 | 0.88 | NPC1 (0.53) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL24890947 | 0.87 | DGAT1 (0.47) | DGAT1 | |
| SCHEMBL31542297 | 0.86 | NPC1 (0.51) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL16193419 | 0.85 | RAB9A (0.61) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL20625743 | 0.83 | NPC1 (0.48) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL25734268 | 0.82 | NPC1 (0.49) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL8446706 | 0.80 | NPC1 (0.72) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL25734267 | 0.80 | NPC1 (0.49) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL16193614 | 0.79 | MAPT (0.56) | NPC1RAB9AL3MBTL1MEN1KMT2A |
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-0543997-B1 | DERIVATIVES OF METHOTREXATE WITH ANTIRHEUMATIC ACTIVITY | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1999-12-08 | — | — | EP | disclosed |
| CN-1032858-C | Methylamino pterin derivatives | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1996-09-25 | — | — | CN | disclosed |
| US-5354753-A | Methotrexate derivative | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1994-10-11 | — | — | US | disclosed |
| EP-0543997-A1 | NOVEL METHOTREXATE DERIVATIVE | Chugai Seiyaku Kabushiki Kaisha (JP) | 1993-06-02 | — | — | EP | disclosed |
| CN-1059725-A | Novel methotrexate derivatives | CHUGAI PHARMACEUTICAL CO LTD (JP) | 1992-03-25 | — | — | CN | disclosed |