Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.68 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | HTR2C | P28335 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.55 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.55 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6479155 | 0.98 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2TSHRHTR2CCYP3A4 | |
| SCHEMBL5081412 | 0.85 | KMT2A (0.59) | ALDH1A1SMN1; SMN2L3MBTL1POLBMEN1 | |
| SCHEMBL4027409 | 0.85 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2TSHRHTR2CERCC1 | |
| SCHEMBL13746002 | 0.85 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2TSHRHTR2CCYP3A4 | |
| SCHEMBL13745651 | 0.85 | ALDH1A1 (0.72) | ALDH1A1SMN1; SMN2TSHRHTR2CCYP3A4 | |
| SCHEMBL172079 | 0.85 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2HTR2CMAPTSLC13A5 | |
| SCHEMBL526330 | 0.84 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2TSHRHTR2CUSP2 | |
| SCHEMBL19064907 | 0.84 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2TSHRCYP3A4MAPT | |
| SCHEMBL25156178 | 0.84 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2TSHRHTR2CERCC1 | |
| SCHEMBL29583269 | 0.84 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2TSHRHTR2CERCC1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008086462-A2 | AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS | WYETH (US) | 2008-07-17 | — | — | WO | claimed |
| WO-2012006104-A2 | COMPOUNDS AND METHODS FOR TREATING TUBERCULOSIS INFECTION | Academia Sinica, Taiwan (TW) | 2012-01-12 | — | — | WO | disclosed |
| EP-1501467-A4 | HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION | BRISTOL MYERS SQUIBB CO (US) | 2009-08-19 | — | — | EP | disclosed |
| WO-2009098282-A1 | LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY | NOVASAID AB (SE) | 2009-08-13 | — | — | WO | disclosed |
| WO-2008086462-A2 | AMINO-SUBSTITUTED QUINAZOLINE DERIVATIVES AS INHIBITORS OF β-CANTENIN/TCF-4 PATHWAY AND CANCER TREATMENT AGENTS | WYETH (US) | 2008-07-17 | — | — | WO | disclosed |
| EP-1501467-A2 | HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION | Bristol-Myers Squibb Company (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2003088908-A2 | HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-10-30 | — | — | WO | disclosed |