Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 2/20 | 0.49 |
| ▸ | MGMT | P16455 | 1/20 | 0.46 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 1/20 | 0.40 |
| ▸ | CTSV | O60911 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28521933 | 0.81 | PIN1 (0.49) | PIN1MGMTNPC1RAB9AMEN1 | |
| SCHEMBL11546040 | 0.81 | MAPT (0.41) | PDE7ANPC1RAB9AMEN1KMT2A | |
| SCHEMBL6284658 | 0.80 | HTR1A (0.50) | PIN1MGMTPDE7ANPC1RAB9A | |
| SCHEMBL29858724 | 0.80 | CYP19A1 (0.46) | PIN1NPC1RAB9AMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3092379 | 0.79 | HTR1A (0.49) | PIN1MGMTPDE7ANPC1RAB9A | |
| SCHEMBL6080377 | 0.78 | LMNA (0.47) | NPC1RAB9AMEN1KMT2AMAPT | |
| SCHEMBL4879420 | 0.76 | POLB (0.57) | PIN1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL1193049 | 0.76 | PIN1 (0.49) | PIN1MGMTPDE7AMEN1KMT2A | |
| SCHEMBL11419499 | 0.76 | POLB (0.51) | PIN1MGMTPDE7ANPC1RAB9A | |
| SCHEMBL5732683 | 0.76 | PIN1 (0.49) | PIN1MGMTPDE7ANPC1RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1320522-B1 | COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS | TAIHO PHARMACEUTICAL CO LTD (JP) | 2005-11-23 | — | — | EP | disclosed |