Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | GLA | P06280 | 2/20 | 0.55 |
| ▸ | F2 | P00734 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.49 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | FLT3 | P36888 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27766565 | 0.88 | ALDH1A1 (0.48) | ALDH1A1GLAF2HPGDPDE3B | |
| SCHEMBL27801346 | 0.83 | GLA (0.56) | ALDH1A1GLAF2HPGDPDE3B | |
| SCHEMBL3719415 | 0.81 | ALDH1A1 (0.46) | ALDH1A1HPGDPDE3BPDE3AKDM4E | |
| SCHEMBL1571317 | 0.79 | ALDH1A1 (0.59) | ALDH1A1GLAF2HPGDPDE3B | |
| SCHEMBL28814899 | 0.79 | ALDH1A1 (0.67) | ALDH1A1GLAF2HPGDPDE3B | |
| SCHEMBL27929529 | 0.78 | PDE3B (0.51) | ALDH1A1GLAF2HPGDPDE3B | |
| Hydrochloric Acid SCHEMBL28007029 | 0.78 | ALDH1A1 (0.57) | ALDH1A1GLAF2HPGDPDE3B | |
| SCHEMBL535665 | 0.77 | EGFR (0.64) | ALDH1A1GLAF2HPGDPDE3B | |
| SCHEMBL4857055 | 0.76 | KMT2A (0.53) | ALDH1A1HPGDPDE3BPDE3AKDM4E | |
| Hydrochloric Acid SCHEMBL30406782 | 0.76 | EGFR (0.62) | ALDH1A1GLAF2HPGDPDE3B |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101652352-A | Quinazolines for PDK1 inhibition | NOVARTIS VACCINES & DIAGNOSTIC | 2010-02-17 | — | — | CN | disclosed |
| EP-2061772-A2 | MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS | Curis, Inc. (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008033747-A9 | MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS | CURIS INC (MA) | 2008-07-24 | — | — | WO | disclosed |
| WO-2008033747-A2 | MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS | CURIS, INC. (US) | 2008-03-20 | — | — | WO | disclosed |
| US-5932574-A | ANTICANCER AGENT | ZENECA LIMITED (GB) | 1999-08-03 | — | — | US | disclosed |