Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 2/20 | 0.53 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.53 |
| ▸ | SMAD3 | P84022 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | F7 | P08709 | 1/20 | 0.50 |
| ▸ | F3 | P13726 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | APEX1 | P27695 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | SYK | P43405 | 1/20 | 0.49 |
| ▸ | NHERF1 | O14745 | 1/20 | 0.48 |
| ▸ | PLD2 | O14939 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3498709 | 0.86 | EGFR (0.64) | PIN1EGFRPIK3CASMAD3NHERF1 | |
| SCHEMBL9816545 | 0.85 | HSD17B10 (0.60) | PIN1SMAD3KDM4EHPGDHSD17B10 | |
| SCHEMBL1734329 | 0.84 | PIN1 (0.65) | PIN1EGFRPIK3CASMAD3KDM4E | |
| SCHEMBL3027767 | 0.80 | MMP13 (0.67) | PIN1SMAD3KDM4EHPGDHSD17B10 | |
| SCHEMBL15653618 | 0.79 | PIN1 (0.63) | PIN1SMAD3KDM4EHPGDHSD17B10 | |
| SCHEMBL8204182 | 0.77 | NHERF1 (0.60) | PIN1EGFRPIK3CASMAD3KDM4E | |
| SCHEMBL7470448 | 0.76 | SMAD3 (0.60) | PIN1SMAD3KDM4EHPGDHSD17B10 | |
| SCHEMBL8197851 | 0.76 | SMAD3 (0.60) | PIN1SMAD3KDM4EHPGDHSD17B10 | |
| SCHEMBL1842307 | 0.75 | SMAD3 (0.68) | PIN1SMAD3KDM4EHPGDHSD17B10 | |
| SCHEMBL29415437 | 0.75 | SMAD3 (0.68) | PIN1SMAD3KDM4EHPGDHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2114454-A2 | CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF | Medarex, Inc. (US) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008083312-A2 | CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF | MEDAREX, INC. (US) | 2008-07-10 | — | — | WO | disclosed |