Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 8/20 | 0.43 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | HBB | P68871 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL19271270 | 0.88 | ALDH1A1 (0.50) | ALDH1A1CYP2A6PTGER4MAPTMEN1 | |
| SCHEMBL11142942 | 0.83 | ALDH1A1 (0.55) | ALDH1A1PTGER4MAPTMEN1KMT2A | |
| SCHEMBL9778947 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP2A6PTGER4MAPTMEN1 | |
| SCHEMBL19271284 | 0.82 | ALDH1A1 (0.42) | ALDH1A1CYP2A6PTGER4MAPTMEN1 | |
| SCHEMBL15465842 | 0.82 | ALDH1A1 (0.56) | ALDH1A1PTGER4MAPTMEN1KMT2A | |
| SCHEMBL9779087 | 0.80 | PTGER4 (0.46) | ALDH1A1PTGER4MAPTMEN1KMT2A | |
| SCHEMBL25806695 | 0.78 | ALDH1A1 (0.49) | ALDH1A1PTGER4MAPTMEN1KMT2A | |
| SCHEMBL19271268 | 0.78 | ALDH1A1 (0.41) | ALDH1A1CYP2A6PTGER4MAPTMEN1 | |
| SCHEMBL1921595 | 0.78 | TSHR (0.44) | ALDH1A1CYP2A6PTGER4MAPTMEN1 | |
| SCHEMBL16978834 | 0.77 | ALDH1A1 (0.64) | ALDH1A1PTGER4MAPTMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-20170244043-A1 | ORGANIC LIGHT-EMITTING DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-08-24 | — | — | US | disclosed |
| US-4999369-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-03-12 | — | — | US | disclosed |
| US-4910218-A | With a hydroxy containing secondary amine group | BURROUGHS WELLCOME CO. (US) | 1990-03-20 | — | — | US | disclosed |