Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | JUN | P05412 | 1/20 | 0.51 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.51 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.46 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3070140 | 0.86 | CYP2A6 (0.61) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL10370773 | 0.85 | CYP2A6 (0.66) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL1233284 | 0.84 | CYP2A6 (0.63) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL1393034 | 0.83 | CYP2A6 (0.58) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL2248697 | 0.83 | CYP2A6 (0.58) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL12174999 | 0.82 | CYP2A6 (0.61) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL6710511 | 0.82 | CYP2A6 (0.61) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL6673016 | 0.81 | CYP2A6 (0.59) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL14775291 | 0.80 | CYP2A6 (0.54) | CYP2A6SMN1; SMN2TP53RXFP1MAPT | |
| SCHEMBL13338100 | 0.79 | CYP2A6 (0.58) | CYP2A6SMN1; SMN2TP53RXFP1MAPT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7994333-B2 | Methods and compositions for selectin inhibition | WYETH LLC (US) | 2011-08-09 | — | — | US | disclosed |
| US-7994333-B2 | Methods and compositions for selectin inhibition | WYETH LLC (US) | 2011-08-09 | — | — | US | disclosed |
| US-20090069564-A1 | Methods and Compositions for Selectin Inhibition | WYETH (US) | 2009-03-12 | — | — | US | disclosed |
| US-20090069564-A1 | Methods and Compositions for Selectin Inhibition | WYETH (US) | 2009-03-12 | — | — | US | disclosed |
| US-7465798-B2 | Methods and compositions for selectin inhibition | WYETH (US) | 2008-12-16 | — | — | US | disclosed |
| US-7465798-B2 | Methods and compositions for selectin inhibition | WYETH (US) | 2008-12-16 | — | — | US | disclosed |
| US-20080125454-A1 | preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale | WYETH (US) | 2008-05-29 | — | — | US | disclosed |
| US-20080125454-A1 | preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale | WYETH (US) | 2008-05-29 | — | — | US | disclosed |
| EP-1067925-A4 | ANTIDIABETIC AGENTS | MERCK & CO INC (US) | 2003-04-16 | — | — | EP | disclosed |
| EP-1067925-A1 | ANTIDIABETIC AGENTS | Merck & Co., Inc. (US) | 2001-01-17 | — | — | EP | disclosed |
| US-6077849-A | ADMINISTERING TO A DIABETIC PATIENT AN ANTIDIABETIC FUSED BICYCLIC HETEROARYL COMPOUND | MERCK & CO., INC. (US) | 2000-06-20 | — | — | US | disclosed |
| WO-1999051225-A1 | ANTIDIABETIC AGENTS | MERCK & CO., INC. (US) | 1999-10-14 | — | — | 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 (2 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-20080125454-A1 | preventing selectin-mediated leukocyte adhesion to the vascular endothelium; 2-(4-Chloro-phenyl)-3-hydroxy-benzo[h]quinoline-4-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-pyrrolo[3,2-h]quinoline-6-carboxylic acid; 8-(4-Chloro-benzyl)-7-hydroxy-2,3-dihydro-1H-9-aza-cyclopenta[a]naphthale | SELL, VCAM1, SELE | CYP2A6 1445/4885SMN1; SMN2 1874/4885TP53 4466/4885 |
| US-20090069564-A1 | Methods and Compositions for Selectin Inhibition | SELP, SELE, SELL | CYP2A6 2377/4885SMN1; SMN2 2880/4885TP53 4382/4885 |
“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.