Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL973371 | 0.77 | KMT2A (0.55) | ALDH1A1HPGDMAPTCA12CA1 | |
| SCHEMBL39058 | 0.77 | TP53 (0.75) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL4628407 | 0.76 | TP53 (0.58) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL1418810 | 0.73 | ALDH1A1 (0.57) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL1302981 | 0.73 | PEPD (0.55) | ALDH1A1MAPTCA1CA2NPC1 | |
| SCHEMBL28675540 | 0.73 | TP53 (0.75) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL5542468 | 0.73 | TP53 (0.75) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL8361539 | 0.73 | TP53 (0.75) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL8278746 | 0.72 | TP53 (0.72) | TP53ALDH1A1HPGDMAPTCA12 | |
| SCHEMBL6008352 | 0.72 | TP53 (0.72) | TP53ALDH1A1HPGDMAPTCA12 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1218739-A4 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2003-06-04 | — | — | EP | claimed |
| US-6458789-B1 | ANTICOAGULENTS, ANTIHISTAMINES, ANTISEPTICS, ANTIARRHYTHMICS AND ANTIRHEUMATICS | LION BIOSCIENCE AG (DE) | 2002-10-01 | — | — | US | claimed |
| EP-1218739-A1 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2002-07-03 | — | — | EP | claimed |
| WO-2001023887-A1 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-04-05 | — | — | WO | claimed |
| EP-1218739-A4 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2003-06-04 | — | — | EP | disclosed |
| US-6458789-B1 | ANTICOAGULENTS, ANTIHISTAMINES, ANTISEPTICS, ANTIARRHYTHMICS AND ANTIRHEUMATICS | LION BIOSCIENCE AG (DE) | 2002-10-01 | — | — | US | disclosed |
| EP-1218739-A1 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001023887-A1 | 2-AMINOPYRIDINE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | LION BIOSCIENCE AG (DE) | 2001-04-05 | — | — | WO | disclosed |