Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 5/20 | 0.48 |
| ▸ | KIF11 | P52732 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| SCHEMBL8381006 | 0.87 | MAOB (0.53) | LTA4HSMN1; SMN2MAOBKIF11KCNH2 | |
| SCHEMBL2792939 | 0.85 | MAOB (0.52) | LTA4HNPC1RAB9ASMN1; SMN2MAOB | |
| SCHEMBL8550645 | 0.85 | MAOB (0.60) | MAOBKIF11TAAR1 | |
| SCHEMBL8385021 | 0.84 | TAAR1 (0.50) | MAOBKIF11KCNH2TAAR1 | |
| SCHEMBL8383387 | 0.81 | LTA4H (0.41) | LTA4HNPC1RAB9ASMN1; SMN2KIF11 | |
| SCHEMBL8385078 | 0.81 | FFAR1 (0.68) | — | |
| SCHEMBL2794118 | 0.81 | MAOB (0.51) | LTA4HNPC1RAB9ASMN1; SMN2MAOB | |
| SCHEMBL31083224 | 0.80 | HTR3A (0.45) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13886600 | 0.80 | NPC1 (0.76) | LTA4HNPC1RAB9ASMN1; SMN2TAAR1 | |
| SCHEMBL8385027 | 0.79 | FFAR1 (0.63) | SMN1; SMN2 |
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-5874436-A | EFFECTIVE IN INHIBITING THE ACTION OF A BACTERIAL HISTIDINE PROTEIN KINASE; USEFUL AGAINST ANTIBIOTIC RESISTANT ORGANISMS | DEMERS JAMES P (US) | 1999-02-23 | — | — | US | disclosed |
| US-5643950-A | INHIBITORS OF A BACTERIAL HISTIDINE PROTEIN KINASE | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-07-01 | — | — | US | disclosed |