Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | F13A1 | P00488 | 1/20 | 0.40 |
| ▸ | TGM2 | P21980 | 1/20 | 0.40 |
| ▸ | TGM1 | P22735 | 1/20 | 0.40 |
| ▸ | CCR5 | P51681 | 3/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.40 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD5 | P21918 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | HTR1D | P28221 | 1/20 | 0.40 |
| ▸ | HTR1B | P28222 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HTR2C | P28335 | 1/20 | 0.40 |
| ▸ | TSPO | P30536 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14342045 | 0.81 | POLB (0.52) | SIGMAR1ADRA2BDRD4ADRA1AHRH1 | |
| SCHEMBL4283767 | 0.80 | HRH3 (0.56) | SIGMAR1HRH3 | |
| SCHEMBL4579407 | 0.78 | KMT2A (0.56) | ESR2 | |
| SCHEMBL19717823 | 0.78 | HRH3 (0.46) | CCR5SIGMAR1TMEM97CHRM5HTR1A | |
| SCHEMBL2797469 | 0.78 | GRM5 (0.55) | F13A1TGM2TGM1 | |
| Hydrochloric Acid SCHEMBL9538926 | 0.77 | MEN1 (0.55) | ESR2 | |
| SCHEMBL31397280 | 0.74 | MEN1 (0.52) | — | |
| SCHEMBL2831250 | 0.74 | MEN1 (0.54) | — | |
| SCHEMBL2831248 | 0.74 | MEN1 (0.54) | — | |
| SCHEMBL8576896 | 0.74 | MEN1 (0.54) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070054909-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | US | disclosed |
| US-7179819-B2 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-02-20 | — | — | US | disclosed |
| US-20040229858-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-11-18 | — | — | US | disclosed |
| US-6756378-B2 | BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) | PHARMACOPEIA DRUG DISCOVERY, INC. | 2004-06-29 | — | — | US | disclosed |
| US-20030078249-A1 | VLA-4 inhibitor compounds | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-04-24 | — | — | US | disclosed |
| CN-1391473-A | VLA-4 inhibitor compounds | DAIICHI SEIYAKU CO (JP) | 2003-01-15 | — | — | CN | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030078249-A1 | VLA-4 inhibitor compounds | VCAM1, ICAM1, ITGA4 | ESR2 3012/4885F13A1 176/4885TGM2 3137/4885 |
| US-20070054909-A1 | VLA-4 inhibitor compounds | VCAM1, ITGB4, ICAM1 | ESR2 2784/4885F13A1 320/4885TGM2 3067/4885 |
| US-20040229858-A1 | VLA-4 inhibitor compounds | VCAM1, ICAM1, ITGB4 | ESR2 2986/4885F13A1 219/4885TGM2 3047/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.