Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | LPL | P06858 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 2/20 | 0.35 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2037665 | 0.91 | KLK8 (0.36) | SMN1; SMN2CYP2C19POLBENPP2 | |
| SCHEMBL7043203 | 0.84 | PTK2 (0.39) | SMN1; SMN2ALDH1A1NPC1MAPTRAB9A | |
| SCHEMBL8958940 | 0.83 | AGXT (0.40) | CA2TP53TAAR1NPC1MAPT | |
| SCHEMBL16062693 | 0.81 | POLB (0.46) | SMN1; SMN2CYP2C19ALDH1A1TDP1PLK1 | |
| SCHEMBL10253270 | 0.81 | CALM1 (0.41) | CA2TAAR1 | |
| SCHEMBL4266251 | 0.81 | TRPA1 (0.36) | ALDH1A1ENPP2 | |
| SCHEMBL5870639 | 0.81 | ALDH1A1 (0.40) | ALDH1A1TAAR1POLBRAB9AHTT | |
| SCHEMBL22750793 | 0.81 | PTK2 (0.34) | ENPP2 | |
| SCHEMBL22762193 | 0.81 | PPARG (0.38) | SMN1; SMN2CA2ENPP2 | |
| SCHEMBL914693 | 0.81 | FDPS (0.41) | ALDH1A1TDP1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-RE46511-E1 | Fused pyrimidine derivatives for inhibition of tyrosine kinase activity | HANMI SCIENCE CO., LTD. (KR) | 2017-08-15 | — | — | US | disclosed |
| US-RE40987-E1 | Cyclosporin with improved activity profile | DEBIOPHARM S.A. (CH) | 2009-11-17 | — | — | US | disclosed |
| US-RE40987-E1 | Cyclosporin with improved activity profile | DEBIOPHARM S.A. (CH) | 2009-11-17 | — | — | US | disclosed |