Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.73 |
| ▸ | NPC1 | O15118 | 7/20 | 0.67 |
| ▸ | RAB9A | P51151 | 7/20 | 0.67 |
| ▸ | TYK2 | P29597 | 1/20 | 0.66 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 4/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | DHODH | Q02127 | 1/20 | 0.56 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29519361 | 0.86 | HPGD (0.79) | HPGDSMN1; SMN2NPC1RAB9ATYK2 | |
| SCHEMBL3684485 | 0.86 | HPGD (0.79) | HPGDSMN1; SMN2NPC1RAB9ATYK2 | |
| SCHEMBL21993 | 0.85 | HPGD (1.00) | HPGDSMN1; SMN2NPC1RAB9ATYK2 | |
| SCHEMBL11781486 | 0.84 | HPGD (0.77) | HPGDSMN1; SMN2NPC1RAB9ATYK2 | |
| SCHEMBL5038860 | 0.83 | HPGD (0.74) | HPGDSMN1; SMN2NPC1RAB9ATYK2 | |
| SCHEMBL19501494 | 0.83 | HPGD (0.86) | HPGDSMN1; SMN2NPC1RAB9ATYK2 | |
| SCHEMBL679010 | 0.83 | HPGD (0.74) | HPGDSMN1; SMN2NPC1RAB9ATYK2 | |
| SCHEMBL2119568 | 0.83 | HPGD (0.74) | HPGDSMN1; SMN2NPC1RAB9ATYK2 | |
| Iodomethane SCHEMBL20530190 | 0.82 | HPGD (0.93) | HPGDSMN1; SMN2NPC1RAB9ATYK2 | |
| Water SCHEMBL11229270 | 0.81 | HPGD (0.72) | HPGDSMN1; SMN2NPC1RAB9ATYK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010141360-A1 | BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-12-09 | — | — | WO | claimed |
| WO-2010114726-A1 | AMINOBENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | claimed |
| US-20040006093-A1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2004-01-08 | — | — | US | claimed |
| US-6583139-B1 | Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2003-06-24 | — | — | US | claimed |
| EP-0994896-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | claimed |
| WO-1999006437-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS INC. (US) | 1999-02-11 | — | — | WO | claimed |
| WO-2010141360-A1 | BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-12-09 | — | — | WO | disclosed |
| WO-2010114726-A1 | AMINOBENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. (US) | 2010-10-07 | — | — | WO | disclosed |
| US-20040006093-A1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2004-01-08 | — | — | US | disclosed |
| US-6583139-B1 | Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2003-06-24 | — | — | US | disclosed |
| EP-0994896-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999006437-A1 | SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS INC. (US) | 1999-02-11 | — | — | 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-20040006093-A1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | VCAM1, ICAM1, CD4 | HPGD 2947/4885SMN1; SMN2 1933/4885NPC1 3250/4885 |
“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.