Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | CTRC | Q99895 | 1/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2448879 | 0.83 | ESR1 (0.48) | CYP1A2SMN1; SMN2ALDH1A1CYP2C9HPGD | |
| SCHEMBL4125762 | 0.79 | MAOB (0.37) | TDP1SMN1; SMN2ALDH1A1HPGDTSHR | |
| SCHEMBL8089523 | 0.79 | CYP1A2 (0.53) | CYP2A6CYP1A2SMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL193137 | 0.79 | MAOB (0.39) | CYP2A6TDP1SMN1; SMN2ALDH1A1CYP3A4 | |
| SCHEMBL6537086 | 0.79 | GSTP1 (0.42) | CYP2A6TDP1CYP1A2SMN1; SMN2ALDH1A1 | |
| SCHEMBL28596743 | 0.79 | ESR1 (0.48) | CYP1A2SMN1; SMN2ALDH1A1HSD17B10GSTP1 | |
| SCHEMBL10448716 | 0.79 | CYP2A6 (0.50) | CYP2A6CYP1A2SMN1; SMN2ALDH1A1CYP2C9 | |
| SCHEMBL6987825 | 0.79 | CYP1A2 (0.50) | CYP2A6CYP1A2SMN1; SMN2ALDH1A1CYP2C9 | |
| SCHEMBL9681222 | 0.77 | CYP2A6 (0.39) | CYP2A6TDP1CYP1A2SMN1; SMN2ALDH1A1 | |
| SCHEMBL948858 | 0.77 | GSTP1 (0.45) | CYP1A2SMN1; SMN2ALDH1A1CYP2C9HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-2722908-A1 | Phosphorescent OLED and hole transporting materials for phosphorescent OLEDs | Novaled AG (DE) | 2014-04-23 | — | — | EP | disclosed |
| US-4892887-A | ANTITUMOR | YALE UNIVERSITY (US) | 1990-01-09 | — | — | US | disclosed |
| US-4684747-A | ANTITUMOR, ALKYLATING AGENTS | YALE UNIVERSITY (US) | 1987-08-04 | — | — | US | disclosed |