Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.49 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.44 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.43 |
| ▸ | NAMPT | P43490 | 1/20 | 0.43 |
| ▸ | REN | P00797 | 1/20 | 0.43 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ACE | P12821 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8496788 | 0.90 | CYP3A4 (0.64) | CYP3A4REN | |
| SCHEMBL1673614 | 0.87 | KLK5 (0.56) | KLK5SCN9AACETP53CTSS | |
| SCHEMBL1673615 | 0.87 | KLK5 (0.56) | KLK5SCN9AACETP53CTSS | |
| SCHEMBL12293298 | 0.82 | CTSL (0.49) | CYP3A4RENSCN9ACTSSCTSL | |
| SCHEMBL4088656 | 0.82 | CYP3A4 (0.52) | CYP3A4NAMPTSCN9AALDH1A1CTSS | |
| SCHEMBL17177 | 0.82 | CACNA1B (0.49) | KLK5SCN9AACETP53CTSS | |
| SCHEMBL17178 | 0.82 | CACNA1B (0.49) | KLK5SCN9AACETP53CTSS | |
| SCHEMBL8125933 | 0.81 | CYP3A4 (0.52) | CYP3A4KLK5NLRP3SCN9AACE | |
| SCHEMBL29588090 | 0.81 | CYP3A4 (0.52) | CYP3A4KLK5NLRP3SCN9AACE | |
| SCHEMBL18239 | 0.81 | SCN9A (0.41) | CYP3A4KLK5SCN9ACTSSCTSK |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6831199-B1 | In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 | G. D. SEARLE & CO. | 2004-12-14 | — | — | US | disclosed |
| US-20040127477-A1 | Heterocyclic glycyl beta-alanine derivatives | G. D. SEARLE & CO. (US) | 2004-07-01 | — | — | US | disclosed |
| US-6689754-B1 | PIPERIDINE OR PYRIDINE DERIVATIVES; ALPHA V BETA 3 INTEGRIN ANTAGONISTS | G. D. SEARLE & CO. | 2004-02-10 | — | — | US | disclosed |
| EP-0804418-B1 | PLATELET AGGREGATION INHIBITORS | SEARLE & CO (US) | 2003-03-26 | — | — | EP | disclosed |
| EP-0850221-B1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | SEARLE & CO (US) | 2001-07-18 | — | — | EP | disclosed |
| EP-1070060-A1 | HETEROCYCLIC GLYCYL BETA-ALANINE DERIVATIVES AS VITRONECTIN ANTAGONISTS | G.D. Searle & Co. (US) | 2001-01-24 | — | — | EP | disclosed |
| US-6028223-A | AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS | G. D. SEARLE & CO. (US) | 2000-02-22 | — | — | US | disclosed |
| WO-1999052896-A1 | HETEROCYCLIC GLYCYL BETA-ALANINE DERIVATIVES AS VITRONECTIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1999-10-21 | — | — | WO | disclosed |
| EP-0850221-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1998-07-01 | — | — | EP | disclosed |
| EP-0804418-A2 | PLATELET AGGREGATION INHIBITORS | G.D. SEARLE & CO. (US) | 1997-11-05 | — | — | EP | disclosed |
| US-5639765-A | OSTEOPOROSIS, PAGET*S DISEASE | G. D. SEARLE & CO. (US) | 1997-06-17 | — | — | US | disclosed |
| WO-1997008145-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-03-06 | — | — | WO | disclosed |
| US-5602155-A | GUANIDINO ALKYL AND PYRIDINE CARBOXYLATE SUBSTITUTED AMIDES | G. D. SEARLE & CO. (US) | 1997-02-11 | — | — | US | disclosed |
| WO-1996023771-A2 | PLATELET AGGREGATION INHIBITORS | G.D. SEARLE & CO. (US) | 1996-08-08 | — | — | 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 (1 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-20040127477-A1 | Heterocyclic glycyl beta-alanine derivatives | ITGB3, ITGAL, ITGB1 | CYP3A4 1724/4885KLK5 2480/4885NLRP3 3451/4885 |
“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.