Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.53 |
| ▸ | DHODH | Q02127 | 1/20 | 0.49 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 7/20 | 0.46 |
| ▸ | TUBB | P07437 | 7/20 | 0.46 |
| ▸ | TUBA3C | P0DPH7 | 7/20 | 0.46 |
| ▸ | TUBA1B | P68363 | 7/20 | 0.46 |
| ▸ | TUBA4A | P68366 | 7/20 | 0.46 |
| ▸ | TUBB4B | P68371 | 7/20 | 0.46 |
| ▸ | TUBB3 | Q13509 | 7/20 | 0.46 |
| ▸ | TUBB2A | Q13885 | 7/20 | 0.46 |
| ▸ | TUBB8 | Q3ZCM7 | 7/20 | 0.46 |
| ▸ | TUBA3E | Q6PEY2 | 7/20 | 0.46 |
| ▸ | TUBA1A | Q71U36 | 7/20 | 0.46 |
| ▸ | TUBA1C | Q9BQE3 | 7/20 | 0.46 |
| ▸ | TUBB6 | Q9BUF5 | 7/20 | 0.46 |
| ▸ | TUBB2B | Q9BVA1 | 7/20 | 0.46 |
| ▸ | TUBB1 | Q9H4B7 | 7/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL28116661 | 0.89 | PARP1 (0.48) | PARP1DHODHCHEK2TUBB4ATUBB | |
| Hydrochloric Acid SCHEMBL28121180 | 0.81 | ALDH1A1 (0.50) | PARP1DHODHCHEK2MAPTCYP1A2 | |
| SCHEMBL16638382 | 0.81 | DHODH (0.70) | PARP1DHODHMAPTCYP1A1CYP1A2 | |
| SCHEMBL4740751 | 0.77 | GUSB (0.59) | PARP1DHODHCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL17251750 | 0.76 | MAPT (0.50) | TP53MAPTCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL28116663 | 0.76 | KDM4E (0.47) | PARP1DHODHTP53MAPTCYP1A1 | |
| SCHEMBL28116286 | 0.74 | MAPT (0.43) | PARP1CHEK2TP53MAPTCYP1A2 | |
| SCHEMBL16017996 | 0.73 | GUSB (0.76) | PARP1CYP1A1CYP1A2CYP1B1GUSB | |
| SCHEMBL15958955 | 0.73 | PARP1 (0.47) | PARP1DHODHCHEK2TP53MAPT | |
| SCHEMBL7917574 | 0.73 | ALDH1A1 (0.61) | PARP1TP53MAPTCYP1A2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-104072425-B | Benzimidazole compound and application thereof | 大连理工大学 | 2016-12-07 | — | — | CN | disclosed |