Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | MEN1 | O00255 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.46 |
| ▸ | TUBB | P07437 | 1/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9829916 | 0.98 | ALDH1A1 (0.55) | ALDH1A1MEN1KMT2ALMNAL3MBTL1 | |
| SCHEMBL20338939 | 0.82 | ALDH1A1 (0.50) | ALDH1A1MEN1KMT2ALMNAL3MBTL1 | |
| SCHEMBL7287666 | 0.81 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2AL3MBTL1KDM4E | |
| SCHEMBL335755 | 0.81 | ADRB1 (0.62) | — | |
| Bromide SCHEMBL10572729 | 0.79 | ADRB1 (0.61) | — | |
| SCHEMBL10805715 | 0.79 | MEN1 (0.50) | ALDH1A1MEN1KMT2ALMNAL3MBTL1 | |
| SCHEMBL28860292 | 0.78 | ALDH1A1 (0.63) | ALDH1A1MEN1KMT2ALMNAL3MBTL1 | |
| SCHEMBL7303075 | 0.76 | ALDH1A1 (0.65) | ALDH1A1MEN1KMT2ALMNANPC1 | |
| SCHEMBL12856135 | 0.76 | ALDH1A1 (0.59) | ALDH1A1MEN1KMT2ALMNAL3MBTL1 | |
| SCHEMBL11179651 | 0.75 | USP2 (0.69) | ALDH1A1MEN1KMT2ALMNAPOLB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4774249-A | Pyrimidine derivatives for treating malaria | HOFFMANN-LA ROCHE INC. (US) | 1988-09-27 | — | — | US | disclosed |
| US-4590270-A | 2,4-diamino-[4-piperidinyl]pyrimidines useful as antibacterial agents, antimalarial agents, antitumors agents | HOFFMANN-LA ROCHE INC. (US) | 1986-05-20 | — | — | US | disclosed |