Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3161992 | 1.00 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNAPKMHTT | |
| SCHEMBL3161481 | 0.92 | LMNA (0.53) | ALDH1A1SMN1; SMN2LMNAPKMHTT | |
| SCHEMBL3161484 | 0.92 | LMNA (0.53) | ALDH1A1SMN1; SMN2LMNAPKMHTT | |
| SCHEMBL3155554 | 0.90 | ADORA2A (0.51) | ALDH1A1SMN1; SMN2LMNACYP1A2MEN1 | |
| SCHEMBL3155570 | 0.90 | ADORA2A (0.51) | ALDH1A1SMN1; SMN2LMNACYP1A2MEN1 | |
| SCHEMBL3163340 | 0.88 | SMN1; SMN2 (0.51) | ALDH1A1SMN1; SMN2LMNAPKMHTT | |
| SCHEMBL3163351 | 0.88 | SMN1; SMN2 (0.51) | ALDH1A1SMN1; SMN2LMNAPKMHTT | |
| SCHEMBL3175441 | 0.83 | ADORA2A (0.48) | ALDH1A1LMNACYP1A2MEN1KMT2A | |
| SCHEMBL3175430 | 0.83 | ADORA2A (0.48) | ALDH1A1LMNACYP1A2MEN1KMT2A | |
| SCHEMBL3167813 | 0.83 | ADORA2A (0.56) | ALDH1A1SMN1; SMN2LMNANPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |