Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 2/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 6/20 | 0.51 |
| ▸ | MMP3 | P08254 | 6/20 | 0.51 |
| ▸ | MMP7 | P09237 | 5/20 | 0.51 |
| ▸ | MMP1 | P03956 | 5/20 | 0.50 |
| ▸ | MMP8 | P22894 | 4/20 | 0.50 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP12 | P39900 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | MMP14 | P50281 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | MME | P08473 | 3/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | ANPEP | P15144 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13103439 | 0.84 | CYP1A2 (0.63) | HDAC3HDAC1HDAC8HDAC6MMP8 | |
| SCHEMBL252900 | 0.83 | CYP1A2 (0.68) | CYP1A2MME | |
| SCHEMBL9007628 | 0.83 | CYP1A2 (0.68) | CYP1A2MME | |
| SCHEMBL629350 | 0.83 | CYP1A2 (0.68) | CYP1A2MME | |
| SCHEMBL435251 | 0.81 | CYP1A2 (0.50) | CYP1A2 | |
| SCHEMBL8144720 | 0.80 | CYP1A2 (0.53) | CYP1A2MME | |
| SCHEMBL2065619 | 0.80 | CYP1A2 (0.53) | CYP1A2MME | |
| SCHEMBL2361534 | 0.80 | CYP1A2 (0.53) | CYP1A2MMEECE1 | |
| SCHEMBL11324047 | 0.80 | CYP1A2 (0.53) | CYP1A2MME | |
| SCHEMBL17497933 | 0.79 | CYP2C19 (0.50) | MME |
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-1261349-A4 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE | CHELATOR LLC (US) | 2004-09-01 | — | — | EP | disclosed |
| EP-1261349-A1 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE | CONCAT, LTD. (US) | 2002-12-04 | — | — | EP | disclosed |
| WO-2001062262-A1 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE | CONCAT, LTD. (US) | 2001-08-30 | — | — | WO | disclosed |
| WO-1997001360-A9 | COMPOUNDS WITH CHELATION AFFINITY AND SELECTIVITY FOR FIRST TRANSITION SERIES ELEMENTS AND THEIR USE IN MEDICAL THERAPY AND DIAGNOSIS | — | 1997-07-17 | — | — | WO | disclosed |