Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R | Q15722 | 1/20 | 0.41 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.39 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9221077 | 0.82 | LTB4R (0.46) | LTB4RLTB4R2HDAC1CYP19A1SIGMAR1 | |
| SCHEMBL8888420 | 0.78 | MTNR1A (0.44) | LTB4RLTB4R2HDAC1MTNR1A | |
| SCHEMBL28330990 | 0.74 | CHRM5 (0.41) | LTB4RLTB4R2CYP19A1CA1CA2 | |
| SCHEMBL28332417 | 0.74 | CHRM5 (0.41) | LTB4RLTB4R2CYP19A1CA1CA2 | |
| SCHEMBL8891775 | 0.74 | LTB4R (0.41) | LTB4R | |
| SCHEMBL8888895 | 0.74 | LTB4R (0.53) | LTB4RLTB4R2CYP19A1 | |
| SCHEMBL22369104 | 0.73 | MAOB (0.46) | CYP19A1CYP11B2SIGMAR1CA1CA2 | |
| SCHEMBL28101525 | 0.70 | ESR1 (0.47) | HTR1AESR1ESR2DRD3DRD2 | |
| SCHEMBL28330978 | 0.69 | CYP19A1 (0.57) | LTB4RLTB4R2CYP19A1ESR1ESR2 | |
| SCHEMBL24228739 | 0.69 | DRD3 (0.46) | ESR1ESR2DRD3DPP4 |
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-5641789-A | INHIBITORS OF LEUKOTRIENES AND/OR BLOCKERS OF LEUKOTRIENE RECEPTORS; USEFUL IN PREVENTION OR TREATMENT OF ASTHMA, ARTHRITIS, PSORIASIS, ULCERS, MYOCARDIAL INFARCTION | PFIZER INC. (US) | 1997-06-24 | — | — | US | disclosed |
| CN-1090282-A | The cycloalkyl that benzenefused, hydroxy replaces and the sulfone amide derivative of heterogeneous ring compound | PFIZER (US) | 1994-08-03 | — | — | CN | disclosed |