Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.45 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.45 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.45 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.45 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.44 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 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 | |
|---|---|---|---|---|
| SCHEMBL22284873 | 0.81 | CYP3A4 (0.58) | MEN1KMT2ANPC1RAB9ACASP3 | |
| SCHEMBL18789761 | 0.80 | MEN1 (0.50) | MEN1KMT2ANPC1RAB9ACASP3 | |
| SCHEMBL25547918 | 0.77 | KMT2A (0.67) | MEN1KMT2ANPC1RAB9ACASP3 | |
| SCHEMBL7101847 | 0.72 | PABPC1 (0.79) | MEN1KMT2ANPC1RAB9ACASP3 | |
| SCHEMBL25687994 | 0.71 | MEN1 (0.39) | MEN1KMT2ANPC1RAB9ACASP3 | |
| SCHEMBL3878438 | 0.70 | MEN1 (0.74) | MEN1KMT2ANPC1RAB9ACASP3 | |
| SCHEMBL14073886 | 0.69 | CYP3A4 (0.55) | MEN1KMT2ANPC1RAB9ACASP3 | |
| Pyridine SCHEMBL29191407 | 0.68 | PABPC1 (0.71) | MEN1KMT2ANPC1RAB9ACASP3 | |
| SCHEMBL30597957 | 0.68 | MEN1 (0.47) | MEN1KMT2ANPC1TRPV1PABPC1 | |
| SCHEMBL4427327 | 0.68 | MEN1 (0.73) | MEN1KMT2ANPC1RAB9ATRPV1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017070719-A2 | PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 | MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) | 2017-04-27 | — | — | WO | disclosed |
| WO-2017070718-A1 | PHARMACOPHORES, COMPOUNDS AND METHODS HAVING APPLICATION IN THE TREATMENT OF CANCER THROUGH INHIBITION OF CYP17A1 AND CYP19A1 | MANGOSUTHU UNIVERSITY OF TECHNOLOGY (ZA) | 2017-04-27 | — | — | WO | disclosed |