Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | LTA4H | P09960 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.33 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.33 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | ACR | P10323 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21842905 | 0.77 | TDP1 (0.44) | TDP1ATML3MBTL1MAPTKDM4E | |
| SCHEMBL21842904 | 0.77 | TDP1 (0.39) | TDP1ATML3MBTL1MAPTKDM4E | |
| SCHEMBL13594089 | 0.71 | CA4 (0.37) | TDP1ATML3MBTL1MAPTKDM4E | |
| SCHEMBL12228517 | 0.70 | LTA4H (0.41) | TDP1ATML3MBTL1MAPTKDM4E | |
| SCHEMBL3448599 | 0.69 | HPGD (0.39) | TDP1L3MBTL1MAPTKDM4EHSD17B10 | |
| SCHEMBL28493100 | 0.69 | HTR3A (0.42) | MAPTHSD17B10HPGDSMN1; SMN2MGLL | |
| SCHEMBL8483797 | 0.69 | CA4 (0.42) | TDP1ATML3MBTL1MAPTKDM4E | |
| SCHEMBL8411617 | 0.69 | PRSS1 (0.40) | TDP1ATML3MBTL1MAPTKDM4E | |
| SCHEMBL2730340 | 0.68 | TDP1 (0.36) | TDP1ATML3MBTL1MAPTKDM4E | |
| SCHEMBL5079269 | 0.67 | HPGD (0.38) | ATMMAPTHSD17B10HPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018021520-A1 | GUANIDINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES | 東レ株式会社 | 2018-02-01 | — | — | WO | disclosed |