Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | GRIN2B | Q13224 | 8/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | TGM2 | P21980 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
| ▸ | F13A1 | P00488 | 1/20 | 0.42 |
| ▸ | TGM1 | P22735 | 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 | |
|---|---|---|---|---|
| SCHEMBL9375677 | 0.94 | SLC29A1 (0.51) | HDAC1GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL8923780 | 0.87 | HDAC1 (0.52) | HDAC1GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL2088315 | 0.80 | ACHE (0.52) | HDAC1MEN1KMT2ATGM2NPC1 | |
| SCHEMBL8917544 | 0.80 | HDAC1 (0.49) | HDAC1GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL8921825 | 0.79 | HDAC1 (0.58) | HDAC1GRIN2BCYP2D6CYP2C9CYP3A4 | |
| SCHEMBL8922623 | 0.75 | GRM5 (0.60) | GRIN2BCYP2C9MEN1KMT2ANPSR1 | |
| SCHEMBL8918450 | 0.75 | EPHX2 (0.56) | TRPV1 | |
| SCHEMBL6479590 | 0.73 | ALDH1A1 (0.63) | HDAC1GRIN2BCYP2C9CYP3A4MEN1 | |
| SCHEMBL3970912 | 0.72 | MEN1 (0.76) | GRIN2BCYP2D6CYP2C9MEN1KMT2A | |
| SCHEMBL4814264 | 0.72 | MEN1 (0.76) | GRIN2BCYP2D6CYP2C9MEN1KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5599930-A | Substituted indoles as anti-AIDS pharmaceuticals | THE UPJOHN COMPANY (US) | 1997-02-04 | — | — | US | disclosed |
| US-5563142-A | INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | THE UPJOHN COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0507861-B1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS | UPJOHN CO (US) | 1996-09-11 | — | — | EP | disclosed |
| US-5489593-A | Anti-aids piperazines | THE UPJOHN COMPANY (US) | 1996-02-06 | — | — | US | disclosed |
| WO-1993001181-A1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS | THE UPJOHN COMPANY (US) | 1993-01-21 | — | — | WO | disclosed |