Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.42 |
| ▸ | TUBB | P07437 | 2/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.42 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.42 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.42 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.42 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.42 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.42 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.42 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.42 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6196824 | 0.76 | NQO1 (0.48) | MAPTRAB9AKMT2AKDM4EALDH1A1 | |
| SCHEMBL16574078 | 0.75 | KMT2A (0.47) | KCNH2MAPTRAB9AATML3MBTL1 | |
| SCHEMBL6198040 | 0.73 | ERN1 (0.47) | MAPTRAB9AATML3MBTL1TUBB4A | |
| SCHEMBL10983599 | 0.70 | ERN1 (0.49) | KCNH2MAPTRAB9AATML3MBTL1 | |
| SCHEMBL2320354 | 0.70 | AHR (0.41) | MAPTKMT2AMAPK14PTGS2TRPV1 | |
| SCHEMBL2611833 | 0.70 | MAPT (0.75) | MAPTRAB9AATML3MBTL1KMT2A | |
| SCHEMBL5365964 | 0.70 | CYP11B2 (0.47) | KDM4EALDH1A1PTGS1 | |
| SCHEMBL21508081 | 0.70 | KCNH2 (0.44) | KCNH2MAPTRAB9AATML3MBTL1 | |
| SCHEMBL5347979 | 0.69 | MEN1 (0.60) | MAPTRAB9AERN1KMT2ARORC | |
| SCHEMBL12057005 | 0.69 | S1PR1 (0.54) | MAPTRAB9AKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1539168-A2 | TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO(3,4-D)PYRIDAZINE COMPOUNDS | Merck & Co., Inc. (US) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004006836-A2 | TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO[3,4-D]PYRIDAZINE COMPOUNDS | MERCK & CO., INC. (US) | 2004-01-22 | — | — | WO | disclosed |