Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CTSV | O60911 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7955492 | 0.90 | NT5E (0.49) | NT5EMAOBRAB9ANPC1ALDH1A1 | |
| SCHEMBL7957304 | 0.90 | NT5E (0.49) | NT5EMAOBRAB9ANPC1ALDH1A1 | |
| SCHEMBL7957946 | 0.89 | NT5E (0.48) | NT5EMAOBRAB9ANPC1ALDH1A1 | |
| SCHEMBL7958176 | 0.89 | NT5E (0.48) | NT5EMAOBRAB9ANPC1ALDH1A1 | |
| SCHEMBL7948003 | 0.87 | NT5E (0.62) | NT5ELMNA | |
| SCHEMBL8317395 | 0.87 | NT5E (0.62) | NT5ELMNA | |
| SCHEMBL1491891 | 0.83 | CYP3A4 (0.41) | CYP3A4RAB9ANPC1ALDH1A1LMNA | |
| SCHEMBL7957730 | 0.82 | NT5E (0.47) | NT5EMAOBRAB9ANPC1ALDH1A1 | |
| SCHEMBL7948006 | 0.81 | NT5E (0.66) | NT5ELMNAKMT2A | |
| SCHEMBL14365702 | 0.80 | CYP3A4 (0.42) | MAOBCYP3A4ALDH1A1KDM4E |
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-6271342-B1 | SERUM STABILITY; FOR TUMOR THERAPY | BAYER AKTIENGESELLSCHAFT (DE) | 2001-08-07 | — | — | US | disclosed |
| EP-0819135-B1 | SUGAR-MODIFIED CYTOSTATICS | BAYER AG (DE) | 1999-11-17 | — | — | EP | disclosed |