Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.35 |
| ▸ | PIN4 | Q9Y237 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.32 |
| ▸ | FKBP4 | Q02790 | 1/20 | 0.32 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7910576 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TDP1ABL1RIN1PIN1 | |
| SCHEMBL7912662 | 0.81 | ALDH1A1 (0.38) | ALDH1A1LMNAKMT2AL3MBTL1 | |
| SCHEMBL7455784 | 0.72 | BRD4 (0.38) | ALDH1A1TSHR | |
| SCHEMBL135497 | 0.67 | LMNA (0.44) | ALDH1A1LMNAPDE4DKMT2AALOX15 | |
| SCHEMBL1600798 | 0.64 | CYP1A2 (0.47) | ALDH1A1TDP1LMNAPDE4DALOX15 | |
| SCHEMBL180341 | 0.63 | CTDSP1 (0.47) | ALDH1A1ELANELMNAKMT2AALOX15 | |
| SCHEMBL7902405 | 0.63 | CYP3A4 (0.36) | TSHR | |
| SCHEMBL7902399 | 0.63 | ALDH1A1 (0.40) | ALDH1A1TDP1ABL1RIN1GSK3A | |
| SCHEMBL7902401 | 0.63 | ALDH1A1 (0.40) | ALDH1A1TDP1ABL1RIN1GSK3A | |
| SCHEMBL11555998 | 0.62 | ABL1 (0.50) | ALDH1A1TDP1ABL1RIN1PIN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6211184-B1 | TETRAHYDRO-PYRAZINE OR PYRIMIDINE DERIVATIVES; VITRONECTIN RECEPTOR ANTAGONIST; OSTEOPOROSIS; ANTIINFLAMMATORY, ANTITUMOR AGENTS; ANGIOGENESIS AND RESTENOSIS INHIBITORS | MERCK & CO., INC. | 2001-04-03 | — | — | US | disclosed |
| US-5981546-A | Integrin antagonists | MERCK & CO., INC. (US) | 1999-11-09 | — | — | US | disclosed |