Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 2/20 | 0.55 |
| ▸ | F10 | P00742 | 1/20 | 0.55 |
| ▸ | F12 | P00748 | 1/20 | 0.55 |
| ▸ | F7 | P08709 | 1/20 | 0.55 |
| ▸ | F3 | P13726 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 2/20 | 0.52 |
| ▸ | RECQL | P46063 | 2/20 | 0.50 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.50 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | C1S | P09871 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 4/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16954 | 0.97 | F2 (0.58) | F2F10F12F7F3 | |
| SCHEMBL27411702 | 0.97 | F2 (0.58) | F2F10F12F7F3 | |
| Ammonia Solution, Strong SCHEMBL28070268 | 0.93 | F2 (0.55) | F2F10F12F7F3 | |
| SCHEMBL10607595 | 0.93 | F2 (0.55) | F2F10F12F7F3 | |
| Hydrochloric Acid SCHEMBL30040932 | 0.93 | BLM (0.60) | F2F10F12F7F3 | |
| SCHEMBL4578344 | 0.93 | F2 (0.55) | F2F10F12F7F3 | |
| Hydrochloric Acid SCHEMBL18795794 | 0.93 | BLM (0.60) | F2F10F12F7F3 | |
| SCHEMBL27279692 | 0.85 | F2 (0.48) | F2F10F12F7F3 | |
| Benzophenone SCHEMBL23175180 | 0.83 | ALDH1A1 (0.74) | KMT2ACES1TSHRCES2DAO | |
| SCHEMBL10607839 | 0.83 | CES2 (0.58) | F2F10F12F7F3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104250270-B | Asymmetric benzhydryl alpha-diimine nickel complex and preparation and application thereof | 中国石油天然气股份有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-104250270-A | Asymmetric benzhydryl alpha-diimine nickel complex and preparation and application thereof | PETROCHINA CO LTD | 2014-12-31 | — | — | CN | disclosed |
| CN-104250270-A | Asymmetric benzhydryl alpha-diimine nickel complex and preparation and application thereof | PETROCHINA CO LTD | 2014-12-31 | — | — | CN | disclosed |