Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | PRNP | P04156 | 1/20 | 0.42 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL29511481 | 1.00 | KDM4E (0.49) | KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL20157741 | 1.00 | KDM4E (0.49) | KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL7980837 | 0.99 | KDM4E (0.48) | KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL6421139 | 0.99 | KDM4E (0.48) | KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL13344628 | 0.88 | KDM4E (0.49) | KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL5041314 | 0.88 | KDM4E (0.49) | KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL6506600 | 0.87 | KDM4E (0.48) | KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL2631568 | 0.84 | CYP1A2 (0.49) | KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL7451890 | 0.84 | KDM4E (0.46) | KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2 | |
| SCHEMBL6421613 | 0.84 | KDM4E (0.46) | KDM4ESMN1; SMN2ALDH1A1KMT2ACYP1A2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111433207-B | As alpha V Pyrrolopyrazine derivatives of integrin inhibitors | 百时美施贵宝公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-111433207-A | As αVPyrrolopyrazine derivatives of integrin inhibitors | 百时美施贵宝公司 | 2020-07-17 | — | — | CN | disclosed |
| EP-1040098-B1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2005-04-27 | — | — | EP | disclosed |
| US-6784190-B2 | USEFUL FOR INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, TUMOR, ATHEROSCLEROSIS, INFLAMMATION, WOUND HEALING, VIRAL DISEASEDISEASE, TUMOR | MERCK & CO., INC. | 2004-08-31 | — | — | US | disclosed |
| US-20020010176-A1 | Integrin receptor antagonists | MERCK SHARP & DOHME CORP. | 2002-01-24 | — | — | US | disclosed |
| US-6297249-B1 | SUBSTITUTED 2-CARBOXYALKYLPYRIDINES | MERCK & CO., INC. | 2001-10-02 | — | — | US | disclosed |
| EP-1040098-A1 | INTEGRIN RECEPTOR ANTAGONISTS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-10-04 | — | — | EP | disclosed |
| US-6048861-A | OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS | MERCK & CO., INC. (US) | 2000-04-11 | — | — | US | disclosed |
| WO-1999031061-A1 | INTEGRIN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1999-06-24 | — | — | 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-20020010176-A1 | Integrin receptor antagonists | ITGAV, ITGB3, ADGRE5 | KDM4E 2532/4885SMN1; SMN2 4030/4885ALDH1A1 2646/4885 |
“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.