Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 4/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.69 |
| ▸ | HTR2C | P28335 | 2/20 | 0.69 |
| ▸ | HTR6 | P50406 | 2/20 | 0.69 |
| ▸ | MPO | P05164 | 1/20 | 0.69 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.69 |
| ▸ | HTR1D | P28221 | 1/20 | 0.69 |
| ▸ | HTR1B | P28222 | 1/20 | 0.69 |
| ▸ | HTR7 | P34969 | 1/20 | 0.69 |
| ▸ | CTSK | P43235 | 1/20 | 0.69 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.69 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.69 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.69 |
| ▸ | HTR1A | P08908 | 4/20 | 0.67 |
| ▸ | MAPT | P10636 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL7889427 | 1.00 | HTR2A (0.69) | HTR2ACYP3A4HTR2CHTR6MPO | |
| SCHEMBL7001306 | 1.00 | HTR2A (0.69) | HTR2ACYP3A4HTR2CHTR6MPO | |
| SCHEMBL7004146 | 0.98 | HTR2A (0.71) | HTR2ACYP3A4HTR2CHTR6MPO | |
| SCHEMBL7005718 | 0.94 | HTR2A (0.71) | HTR2ACYP3A4HTR2CHTR6MPO | |
| SCHEMBL24961938 | 0.91 | SLC6A4 (0.64) | HTR2ACYP3A4HTR2CHTR6MPO | |
| SCHEMBL1518978 | 0.91 | SLC6A4 (0.59) | HTR2ACYP3A4HTR2CHTR6MPO | |
| SCHEMBL7496450 | 0.91 | SLC6A4 (0.59) | HTR2ACYP3A4HTR2CHTR6MPO | |
| SCHEMBL20648101 | 0.91 | SLC6A4 (0.64) | HTR2ACYP3A4HTR2CHTR6MPO | |
| SCHEMBL22582285 | 0.91 | SLC6A4 (0.64) | HTR2ACYP3A4HTR2CHTR6MPO | |
| SCHEMBL25140788 | 0.91 | SLC6A4 (0.64) | HTR2ACYP3A4HTR2CHTR6MPO |
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-1337511-A1 | BIS-HETEROCYCLIC COMPOUNDS WITH ANTITUMOUR AND CHEMOSENSITISING ACTIVITY | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002036561-A1 | BIS-HETEROCYCLIC COMPOUNDS WITH ANTITUMOUR AND CHEMOSENSITISING ACTIVITY | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2002-05-10 | — | — | WO | disclosed |