Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.49 |
| ▸ | GPR3 | P46089 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | NQO2 | P16083 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TOP2A | P11388 | 2/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 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 | |
|---|---|---|---|---|
| SCHEMBL9755646 | 0.79 | GPR3 (0.52) | ALDH1A1IMPDH2GPR3KDM4ENQO2 | |
| SCHEMBL18069037 | 0.79 | GPR3 (0.56) | ALDH1A1GPR3KDM4ENQO2TOP2A | |
| SCHEMBL9779016 | 0.77 | AHR (0.51) | ALDH1A1IMPDH2GPR3KDM4ENQO2 | |
| SCHEMBL30807999 | 0.76 | KDM4E (0.66) | ALDH1A1IMPDH2GPR3KDM4ENQO2 | |
| SCHEMBL22722811 | 0.72 | L3MBTL1 (0.53) | ALDH1A1IMPDH2GPR3KDM4EMAPT | |
| SCHEMBL2027792 | 0.72 | MAPT (0.55) | ALDH1A1IMPDH2GPR3KDM4ENQO2 | |
| Acetaldehyde SCHEMBL28007694 | 0.72 | GPR3 (0.76) | ALDH1A1IMPDH2GPR3KDM4ENQO2 | |
| SCHEMBL22211992 | 0.71 | GPR3 (0.60) | ALDH1A1GPR3KDM4ENQO2LMNA | |
| SCHEMBL14313953 | 0.69 | GPR3 (0.71) | ALDH1A1GPR3KDM4ENQO2TOP2A | |
| SCHEMBL718797 | 0.69 | PTGER4 (0.64) | ALDH1A1GPR3KDM4ENQO2LMNA |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0182608-B1 | POLYCYCLIC COMPOUNDS, THEIR PREPARATION AND FORMULATIONS CONTAINING THEM | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-03-03 | — | — | EP | disclosed |
| US-4999369-A | Antitumor agents | BURROUGHS WELLCOME CO. (US) | 1991-03-12 | — | — | US | disclosed |
| US-4952597-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1990-08-28 | — | — | US | disclosed |
| US-4918101-A | ANTITUMOR AGENTS | BURROUGHS WELLCOME CO. (US) | 1990-04-17 | — | — | US | disclosed |
| US-4910218-A | With a hydroxy containing secondary amine group | BURROUGHS WELLCOME CO. (US) | 1990-03-20 | — | — | US | disclosed |
| US-4873258-A | Benzo[c] carbazole propanediol containing anti tumor compositions and use | BURROUGHS WELLCOME CO. (US) | 1989-10-10 | — | — | US | disclosed |
| US-4855453-A | Tetracyclic thiophene derivatives | BURROUGHS WELLCOME CO. (US) | 1989-08-08 | — | — | US | disclosed |
| US-4797495-A | ANTITUMOR AGENTS, ANTICARCINOGENIC AGENTS | BURROUGHS WELLCOME CO. (US) | 1989-01-10 | — | — | US | disclosed |
| EP-0182608-A2 | Polycyclic compounds, their preparation and formulations containing them | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-05-28 | — | — | EP | disclosed |