Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | BAD | Q92934 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL161183 | 0.85 | ABCG2 (0.39) | ABCG2PKMTSHRBADTXNRD1 | |
| SCHEMBL8638641 | 0.83 | MAPT (0.39) | PTGS2MEN1NPC1RAB9AKMT2A | |
| SCHEMBL9740282 | 0.83 | RIPK3 (0.37) | KDM4EMAPT | |
| SCHEMBL9738660 | 0.79 | KDM4E (0.41) | PTGS2MEN1NPC1RAB9AKMT2A | |
| SCHEMBL6784931 | 0.78 | HSP90AA1 (0.30) | — | |
| SCHEMBL11571390 | 0.75 | PREP (0.43) | PTGS2PKMMEN1NPC1RAB9A | |
| SCHEMBL8925096 | 0.72 | ABCG2 (0.38) | ABCG2PTGS2HTR1ADRD2MEN1 | |
| SCHEMBL6210971 | 0.72 | PDE4A (0.41) | MEN1NPC1RAB9AKMT2ATSHR | |
| SCHEMBL15377351 | 0.72 | ALOX5 (0.45) | PTGS2MEN1NPC1RAB9AKMT2A | |
| SCHEMBL3404505 | 0.71 | ABCG2 (0.37) | ABCG2PTGS2TXNRD1TXNRD3TXNRD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6030975-A | ANTAGONIST OF ENDOTHELINS, I.E. INHIBITION OF BINDING WITH RECEPTOR; ANTITUMOR AND -CARCINOGENIC AGENTS; SIDE EFFECT REDUCTION | BASF AKTIENGESELLSCHAFT (DE) | 2000-02-29 | — | — | US | disclosed |