Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.67 |
| ▸ | CA1 | P00915 | 2/20 | 0.67 |
| ▸ | CA12 | O43570 | 1/20 | 0.67 |
| ▸ | CA9 | Q16790 | 1/20 | 0.67 |
| ▸ | NPC1 | O15118 | 6/20 | 0.65 |
| ▸ | RAB9A | P51151 | 5/20 | 0.65 |
| ▸ | POLB | P06746 | 1/20 | 0.65 |
| ▸ | MAOB | P27338 | 1/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL5879548 | 0.88 | CYP1A2 (0.76) | MEN1TP53KMT2ASMN1; SMN2PTPN1 | |
| SCHEMBL5879527 | 0.88 | CYP1A2 (0.61) | CA2CA1CA12CA9NPC1 | |
| SCHEMBL4743393 | 0.87 | NPC1 (0.73) | CA2CA1CA12CA9NPC1 | |
| SCHEMBL4744610 | 0.87 | NPC1 (0.69) | CA2CA1CA12CA9NPC1 | |
| SCHEMBL2831462 | 0.86 | NPC1 (0.77) | CA2CA1CA12CA9NPC1 | |
| SCHEMBL23747520 | 0.86 | RAB9A (0.73) | NPC1RAB9APOLBMEN1TP53 | |
| SCHEMBL16378812 | 0.86 | NPC1 (0.64) | CA2CA1CA12CA9NPC1 | |
| SCHEMBL26546719 | 0.86 | RAB9A (0.73) | NPC1RAB9APOLBMAOBKMT2A | |
| SCHEMBL3461361 | 0.85 | CA2 (0.68) | CA2CA1CA12CA9NPC1 | |
| SCHEMBL545945 | 0.84 | SMN1; SMN2 (0.65) | CA2CA1CA12CA9NPC1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080261978-A1 | treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea | METASTATIX, INC. | 2008-10-23 | — | — | US | disclosed |
| US-20080261978-A1 | treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea | METASTATIX, INC. | 2008-10-23 | — | — | US | disclosed |
| US-20080261978-A1 | treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea | METASTATIX, INC. | 2008-10-23 | — | — | US | disclosed |
| WO-2008109154-A1 | CHEMOKINE RECEPTOR MODULATORS | ALTIRIS THERAPEUTICS, INC. (US) | 2008-09-12 | — | — | WO | disclosed |
| WO-2008109154-A1 | CHEMOKINE RECEPTOR MODULATORS | ALTIRIS THERAPEUTICS, INC. (US) | 2008-09-12 | — | — | WO | disclosed |
| US-20080221082-A1 | Ligands of Integrin Receptors | ABBOTT GMBH & CO. KG (DE) | 2008-09-11 | — | — | US | disclosed |
| US-7279468-B2 | Integrin ligands | ABBOTT GMBH & CO. KG (DE) | 2007-10-09 | — | — | US | disclosed |
| US-7125883-B1 | Integrin receptor ligands | ABBOTT GMBH & CO. KG (DE) | 2006-10-24 | — | — | US | disclosed |
| US-7105508-B1 | Integrin receptors antagonists | ABBOTT GMBH & CO. KG (DE) | 2006-09-12 | — | — | US | disclosed |
| US-20040063934-A1 | Integrin ligands | ABBVIE DEUTSCHLAND GMBH & CO KG (DE) | 2004-04-01 | — | — | US | disclosed |
| CN-1374960-A | novel integrin receptor antagonists | BASF AG (DE) | 2002-10-16 | — | — | 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-20040063934-A1 | Integrin ligands | ITGB3, ITGAV, ITGAL | CA2 3929/4885CA1 4569/4885CA12 3719/4885 |
| US-20080261978-A1 | treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea | MKI67, CCNI, CDKN1A | CA2 4241/4885CA1 4809/4885CA12 4601/4885 |
| US-20080221082-A1 | Ligands of Integrin Receptors | ITGB3, ITGAV, ITGA2B | CA2 3414/4885CA1 4283/4885CA12 3178/4885 |
“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.