Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | POLB | P06746 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL31751926 | 1.00 | ALDH1A1 (0.65) | ALDH1A1POLBKMT2ATDP1HTT | |
| SCHEMBL5064689 | 0.80 | ALDH1A1 (0.59) | ALDH1A1POLBKMT2ATDP1MEN1 | |
| SCHEMBL10743632 | 0.79 | ALDH1A1 (0.55) | ALDH1A1POLBKMT2AHTTMEN1 | |
| SCHEMBL5460713 | 0.76 | ALDH1A1 (0.57) | ALDH1A1POLBKMT2AHTTMEN1 | |
| SCHEMBL31753078 | 0.76 | KMT2A (0.74) | POLBKMT2AMEN1HPGDHDAC1 | |
| SCHEMBL11364469 | 0.76 | ALDH1A1 (0.55) | ALDH1A1POLBKMT2AHTTMEN1 | |
| SCHEMBL916927 | 0.76 | KMT2A (0.74) | POLBKMT2AMEN1HPGDHDAC1 | |
| SCHEMBL10179102 | 0.73 | ALDH1A1 (0.49) | ALDH1A1POLBKMT2AHTTMEN1 | |
| SCHEMBL1680781 | 0.73 | ALDH1A1 (0.46) | ALDH1A1POLBKMT2AMEN1HPGD | |
| SCHEMBL6701969 | 0.72 | ALDH1A1 (0.48) | ALDH1A1POLBKMT2AHTTMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1060178-B1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER (US) | 2003-09-03 | — | — | EP | disclosed |
| US-6610707-B1 | Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. | PFIZER INC. | 2003-08-26 | — | — | US | disclosed |
| EP-1060178-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER INC. (US) | 2000-12-20 | — | — | EP | disclosed |
| WO-1999045006-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER INC. (US) | 1999-09-10 | — | — | WO | disclosed |