Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9824054 | 0.79 | CYP2A6 (0.48) | CYP2A6RAB9ASMN1; SMN2NPC1TDP1 | |
| SCHEMBL3336700 | 0.77 | HTR2A (0.39) | CYP2A6L3MBTL1RELAMAOB | |
| SCHEMBL16932229 | 0.75 | CYP2A6 (0.44) | CYP2A6RAB9ASMN1; SMN2NPC1TDP1 | |
| P-Xylene SCHEMBL11301004 | 0.74 | ACHE (0.61) | CYP2A6SMN1; SMN2TDP1ACHECA1 | |
| SCHEMBL5063720 | 0.73 | CYP2A6 (0.42) | CYP2A6RAB9ASMN1; SMN2NPC1TDP1 | |
| P-Xylene SCHEMBL17784277 | 0.71 | ACHE (0.67) | CYP2A6SMN1; SMN2TDP1ACHECA1 | |
| SCHEMBL22163763 | 0.70 | CYP2A6 (0.44) | CYP2A6RAB9ASMN1; SMN2NPC1TDP1 | |
| SCHEMBL27908207 | 0.68 | NFE2L2 (0.43) | CYP2A6RAB9ASMN1; SMN2NPC1TDP1 | |
| P-Xylene SCHEMBL2589553 | 0.68 | ACHE (0.61) | CYP2A6SMN1; SMN2TDP1ACHECA1 | |
| SCHEMBL28247099 | 0.67 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0089769-B1 | 9-SUBSTITUTED CARBACYCLIN ANALOGUES | THE UPJOHN COMPANY (US) | 1986-10-01 | — | — | EP | disclosed |
| EP-0092352-B1 | 9-SUBSTITUTED CARBACYCLINS | THE UPJOHN COMPANY (US) | 1986-07-02 | — | — | EP | disclosed |
| EP-0086611-B1 | 9-SUBSTITUTED CARBACYCLIN ANALOGUES | THE UPJOHN COMPANY (US) | 1986-05-21 | — | — | EP | disclosed |
| US-4588823-A | 9-substituted carbacyclin analogs | THE UPJOHN COMPANY (US) | 1986-05-13 | — | — | US | disclosed |
| US-4585886-A | 9-Substituted carbacyclin analogs | THE UPJOHN COMPANY (US) | 1986-04-29 | — | — | US | disclosed |
| US-4490555-A | 9-Substituted carbacyclin analogs | THE UPJOHN COMPANY (US) | 1984-12-25 | — | — | US | disclosed |
| US-4487961-A | ANTIULCER, ANTIASTHMA, ANTICOAGULANTS | THE UPJOHN COMPANY (US) | 1984-12-11 | — | — | US | disclosed |
| US-4487960-A | 9-Substituted carbacyclin analogs | THE UPJOHN COMPANY (US) | 1984-12-11 | — | — | US | disclosed |
| EP-0092352-A1 | 9-Substituted carbacyclins | THE UPJOHN COMPANY (US) | 1983-10-26 | — | — | EP | disclosed |
| EP-0089769-A1 | 9-Substituted carbacyclin analogues | THE UPJOHN COMPANY (US) | 1983-09-28 | — | — | EP | disclosed |
| EP-0088619-A2 | Benzopyrans | THE UPJOHN COMPANY (US) | 1983-09-14 | — | — | EP | disclosed |
| US-4401824-A | Benzopyran compounds, derivatives of prostaglandins | THE UPJOHN COMPANY (US) | 1983-08-30 | — | — | US | disclosed |
| EP-0086611-A1 | 9-Substituted carbacyclin analogues | THE UPJOHN COMPANY (US) | 1983-08-24 | — | — | EP | disclosed |