Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CTSD | P07339 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL631453 | 0.84 | ALDH1A1 (0.57) | TSHRCTSDALDH1A1GPR35TDP1 | |
| SCHEMBL115478 | 0.81 | CTSD (0.65) | TSHRCTSDALDH1A1TDP1LMNA | |
| SCHEMBL10766788 | 0.81 | CTSD (0.65) | TSHRCTSDALDH1A1TDP1LMNA | |
| SCHEMBL366798 | 0.80 | GPR35 (0.56) | TSHRCTSDALDH1A1GPR35TDP1 | |
| SCHEMBL894810 | 0.80 | GPR35 (0.64) | TSHRCTSDALDH1A1GPR35TDP1 | |
| SCHEMBL1315874 | 0.80 | TDP1 (0.50) | TSHRCTSDALDH1A1GPR35TDP1 | |
| Hydrochloric Acid SCHEMBL10550781 | 0.79 | CTSD (0.62) | TSHRCTSDALDH1A1TDP1LMNA | |
| Hydrochloric Acid SCHEMBL8025084 | 0.79 | CTSD (0.62) | TSHRCTSDALDH1A1TDP1LMNA | |
| SCHEMBL308476 | 0.79 | TSHR (0.49) | TSHRCTSDALDH1A1GPR35TDP1 | |
| SCHEMBL1805930 | 0.79 | TSHR (0.72) | TSHRALDH1A1TDP1LMNACYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2012780-A4 | SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS | ABBOTT LAB (US) | 2009-06-24 | — | — | EP | disclosed |
| EP-2012780-A2 | SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS | Abbott Laboratories (US) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007131016-A2 | SUBSTITUTED 1H-BENZIMIDAZOLE-4-CARBOXAMIDES ARE POTENT PARP INHIBITORS | ABBOTT LABORATORIES (US) | 2007-11-15 | — | — | WO | disclosed |