Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 5/20 | 0.40 |
| ▸ | DRD3 | P35462 | 5/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.39 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.35 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL746562 | 0.78 | NOTUM (0.44) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL8999174 | 0.75 | DRD2 (0.43) | DRD2DRD3NOTUMAADATADRB1 | |
| SCHEMBL8999000 | 0.70 | NPSR1 (0.43) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL8999080 | 0.69 | MAPK1 (0.42) | DRD2NOTUMRECQLALDH1A1TDP1 | |
| SCHEMBL9959955 | 0.69 | NOTUM (0.49) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL8999008 | 0.68 | MAOA (0.40) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL21257665 | 0.68 | ADRA2A (0.42) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL10843358 | 0.67 | NOTUM (0.46) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL2625772 | 0.65 | NOTUM (0.57) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL2625794 | 0.63 | NOTUM (0.50) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5556874-A | ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS | WARNER LAMBERT COMPANY (US) | 1996-09-17 | — | — | US | disclosed |
| US-5464861-A | Anticarcinogenic agents | WARNER-LAMBERT (US) | 1995-11-07 | — | — | US | disclosed |
| EP-0654024-A1 | 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES | WARNER-LAMBERT COMPANY (US) | 1995-05-24 | — | — | EP | disclosed |
| WO-1994003427-A1 | 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES | WARNER-LAMBERT COMPANY (US) | 1994-02-17 | — | — | WO | disclosed |