Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.42 |
| ▸ | CCKBR | P32239 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | GPR6 | P46095 | 8/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24739225 | 1.00 | CCNT1 (0.44) | CCNT1CDK9P2RX3GPR119CCKBR | |
| SCHEMBL28719723 | 0.90 | P2RX3 (0.41) | CCNT1CDK9P2RX3GPR119CCKBR | |
| SCHEMBL8339060 | 0.89 | NR1H2 (0.43) | CCNT1CDK9P2RX3GPR119PDE4B | |
| SCHEMBL3188809 | 0.89 | NR1H2 (0.43) | CCNT1CDK9P2RX3GPR119PDE4B | |
| SCHEMBL5150050 | 0.89 | CCKBR (0.47) | GPR119CCKBRPDE4BGRIN1GRIN2B | |
| SCHEMBL24739556 | 0.89 | NR1H2 (0.43) | CCNT1CDK9P2RX3GPR119PDE4B | |
| SCHEMBL13481242 | 0.89 | NR1H2 (0.43) | CCNT1CDK9P2RX3GPR119PDE4B | |
| SCHEMBL2409780 | 0.88 | P2RX3 (0.43) | CCNT1CDK9P2RX3PDE4BNR1H2 | |
| SCHEMBL2409775 | 0.88 | P2RX3 (0.43) | CCNT1CDK9P2RX3PDE4BNR1H2 | |
| SCHEMBL22112078 | 0.87 | P2RX3 (0.40) | CCNT1CDK9P2RX3GPR119PDE4B |
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 8 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 |
| EP-1189612-A4 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI SEIYAKU CO (JP) | 2005-02-16 | — | — | EP | 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 |
| EP-1189612-A1 | VLA-4 INHIBITOR COMPOUNDS | Daiichi Pharmaceutical Co., Ltd. (JP) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000206-A1 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-01-04 | — | — | WO | 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 | CCNT1 993/4885CDK9 737/4885P2RX3 2438/4885 |
| US-20070054909-A1 | VLA-4 inhibitor compounds | VCAM1, ITGB4, ICAM1 | CCNT1 1218/4885CDK9 657/4885P2RX3 1911/4885 |
| US-20040229858-A1 | VLA-4 inhibitor compounds | VCAM1, ICAM1, ITGB4 | CCNT1 1236/4885CDK9 860/4885P2RX3 2312/4885 |
“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.