Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.44 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.44 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.44 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.44 |
| ▸ | GRM6 | O15303 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | MERTK | Q12866 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9798778 | 0.84 | ALDH1A1 (0.41) | VCAM1ALDH1A1RECQLHSD17B10MAPT | |
| SCHEMBL9586447 | 0.83 | MAPT (0.50) | VCAM1ALDH1A1RECQLMAPTGRIA1 | |
| SCHEMBL9799360 | 0.80 | HCAR3 (0.43) | VCAM1ALDH1A1RECQLMAPTGRIA1 | |
| SCHEMBL27039902 | 0.78 | ALDH1A1 (0.55) | ALDH1A1RECQLHSD17B10MAPTCYP1A2 | |
| SCHEMBL9798733 | 0.78 | MAPT (0.49) | VCAM1ALDH1A1MAPTPOLBTDP1 | |
| SCHEMBL1343668 | 0.77 | TSHR (0.60) | VCAM1ALDH1A1HSD17B10MAPTGRIA1 | |
| SCHEMBL8522212 | 0.77 | MAPT (0.45) | VCAM1ALDH1A1MAPTGRIA1GRIA2 | |
| SCHEMBL8439729 | 0.77 | RAB9A (0.54) | VCAM1ALDH1A1RECQLMAPTGRIA1 | |
| SCHEMBL9798797 | 0.77 | HCAR3 (0.46) | VCAM1ALDH1A1MAPTPOLBHPGD | |
| SCHEMBL8519256 | 0.77 | AR (0.63) | CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993013079-A1 | ANTIFOLATE QUINAZOLINES | AGOURON PHARMACEUTICALS, INC. (US) | 1993-07-08 | — | — | WO | disclosed |
| EP-0411103-A1 | NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS | MERCK PATENT GmbH (DE) | 1991-02-06 | — | — | EP | disclosed |
| WO-1990009616-A1 | NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-23 | — | — | WO | disclosed |