Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.63 |
| ▸ | CA9 | Q16790 | 2/20 | 0.63 |
| ▸ | CA2 | P00918 | 1/20 | 0.63 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.62 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.55 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3969287 | 0.92 | OPRK1 (0.63) | CA12CA9CA2ALOX15TMEM97 | |
| SCHEMBL7206800 | 0.92 | CA12 (0.54) | CA12CA9CA2ALOX15TMEM97 | |
| SCHEMBL4119590 | 0.90 | ALDH1A1 (0.64) | CA12CA9CA2TMEM97SIGMAR1 | |
| Hydrochloric Acid SCHEMBL7621278 | 0.89 | ALDH1A1 (0.62) | CA12CA9CA2ALOX15TMEM97 | |
| SCHEMBL7201652 | 0.88 | CNR2 (0.53) | CA12CA9CA2ALOX15TMEM97 | |
| SCHEMBL13426173 | 0.86 | OPRK1 (0.48) | CA12CA9CA2ALOX15TMEM97 | |
| SCHEMBL7617408 | 0.86 | ALDH1A1 (0.66) | CA12CA9CA2ALOX15TMEM97 | |
| SCHEMBL27485912 | 0.86 | OPRK1 (0.57) | CA12CA9CA2ALOX15TMEM97 | |
| SCHEMBL13925168 | 0.84 | PTGS2 (0.51) | CA12CA9CA2ALOX15TMEM97 | |
| SCHEMBL28808214 | 0.81 | ALDH1A1 (0.79) | CA12CA9CA2CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6605645-B2 | Such as 1,15-di(cyclopropylmethylamino)-8-benzyl-4,8,12-triazapentadecane; carcinostatic action | RIKEN (JP) | 2003-08-12 | — | — | US | disclosed |
| US-6319956-B1 | N1, N4-BIS(CYCLOPROPYLMETHYLAMINO)TRIALKYLENETETRAMINES THAT MAY BE TOLUENESULFONATED. | RIKEN (JP) | 2001-11-20 | — | — | US | disclosed |