Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CTNNB1 | P35222 | 4/20 | 0.48 |
| ▸ | WNT3A | P56704 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3696044 | 0.92 | RAB9A (0.61) | SMN1; SMN2CYP1A2CYP2C19RAB9AHDAC8 | |
| SCHEMBL15969585 | 0.79 | CTNNB1 (0.67) | SMN1; SMN2RAB9AHDAC8HDAC1NPC1 | |
| SCHEMBL15988867 | 0.79 | RAB9A (0.58) | SMN1; SMN2CYP2C19RAB9AHDAC8HDAC1 | |
| SCHEMBL7460882 | 0.78 | HDAC8 (0.64) | SMN1; SMN2RAB9AHDAC8HDAC1ALDH1A1 | |
| SCHEMBL15979734 | 0.77 | CTNNB1 (0.71) | SMN1; SMN2RAB9AHDAC8HDAC1ALDH1A1 | |
| SCHEMBL8569591 | 0.77 | HDAC8 (0.67) | SMN1; SMN2RAB9AHDAC8HDAC1ALDH1A1 | |
| SCHEMBL18163286 | 0.77 | SMN1; SMN2 (0.60) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1MEN1 | |
| SCHEMBL6626765 | 0.76 | HDAC8 (0.66) | SMN1; SMN2HDAC8HDAC1ALDH1A1NPC1 | |
| SCHEMBL5311917 | 0.76 | HDAC8 (0.66) | HDAC8HDAC1ALDH1A1MAPK1NPC1 | |
| SCHEMBL15988824 | 0.76 | CTNNB1 (0.59) | SMN1; SMN2RAB9AHDAC8HDAC1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1126836-B1 | BENZAMIDE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2007-02-14 | — | — | EP | disclosed |
| EP-1126836-A4 | BENZAMIDE POTASSIUM CHANNEL INHIBITORS | MERCK & CO INC (US) | 2002-09-04 | — | — | EP | disclosed |
| EP-1126836-A1 | BENZAMIDE POTASSIUM CHANNEL INHIBITORS | Merck & Co., Inc. (US) | 2001-08-29 | — | — | EP | disclosed |
| US-6194458-B1 | 1-(2-METHOXYPHENYL)-1-OXO-2-AZA-(S)-4-I-BUTYL-4-PHENYLBUTANE, FOR EXAMPLE; TREATING VARIOUS CONDITIONS INCLUDING TRANSPLANTATION REJECTION OF ORGANS OR TISSUES IN A PATIENT; IMMUNOSUPPRESSANT COMPOSITIONS | MERCK & CO., INC. | 2001-02-27 | — | — | US | disclosed |
| WO-2000025774-A1 | BENZAMIDE POTASSIUM CHANNEL INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |