Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | GPR17 | Q13304 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27453283 | 0.86 | PARP1 (0.59) | PARP1HDAC8HDAC6SMN1; SMN2RAB9A | |
| SCHEMBL27642696 | 0.80 | PARP1 (0.47) | PARP1HDAC8HDAC6SMN1; SMN2RAB9A | |
| SCHEMBL9360777 | 0.80 | PARP1 (0.47) | PARP1HDAC8HDAC6SMN1; SMN2RAB9A | |
| SCHEMBL28289702 | 0.80 | GPR17 (0.65) | PARP1HDAC8HDAC6SMN1; SMN2RAB9A | |
| SCHEMBL40429 | 0.80 | GPR17 (0.65) | PARP1HDAC8HDAC6SMN1; SMN2RAB9A | |
| SCHEMBL29534771 | 0.80 | GPR17 (0.65) | PARP1HDAC8HDAC6SMN1; SMN2RAB9A | |
| SCHEMBL1107202 | 0.80 | ALDH1A1 (0.68) | PARP1RAB9AMAPTCYP3A4CYP2C19 | |
| SCHEMBL15317892 | 0.78 | TDP1 (0.61) | HDAC6SMN1; SMN2RAB9ANPC1MAPT | |
| SCHEMBL7645360 | 0.78 | ALDH1A1 (0.66) | PARP1RAB9AMAPTCYP3A4CYP2C19 | |
| SCHEMBL4605445 | 0.78 | PARP1 (0.62) | PARP1HDAC8HDAC6SMN1; SMN2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-1115330-C | N- (4-amidinophenyl) glycinamide derivatives | HOFFMANN LA ROCHE (CH) | 2003-07-23 | — | — | CN | disclosed |
| CN-1224714-A | N- (4-amidinophenyl) glycinamide derivatives | HOFFMANN LA ROCHE (CH) | 1999-08-04 | — | — | CN | disclosed |