Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CES1 | P23141 | 6/20 | 0.42 |
| ▸ | CES2 | O00748 | 5/20 | 0.42 |
| ▸ | DAO | P14920 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15673200 | 0.83 | CES1 (0.43) | TSHRALDH1A1HSD17B10TDP1CES1 | |
| SCHEMBL8576252 | 0.81 | ATM (0.42) | TSHRALDH1A1HSD17B10TDP1CES1 | |
| SCHEMBL8576250 | 0.81 | ATM (0.42) | TSHRALDH1A1HSD17B10TDP1CES1 | |
| SCHEMBL491486 | 0.81 | CES1 (0.45) | TSHRALDH1A1HSD17B10TDP1CES1 | |
| SCHEMBL524976 | 0.81 | CES1 (0.45) | TSHRALDH1A1HSD17B10TDP1CES1 | |
| SCHEMBL28852422 | 0.81 | TSHR (0.41) | TSHRALDH1A1HSD17B10TDP1CES1 | |
| SCHEMBL15366984 | 0.75 | RBP4 (0.43) | TSHRALDH1A1TDP1ELANECA2 | |
| SCHEMBL30482826 | 0.75 | RBP4 (0.43) | TSHRALDH1A1TDP1ELANECA2 | |
| SCHEMBL30482829 | 0.75 | RBP4 (0.43) | TSHRALDH1A1TDP1ELANECA2 | |
| SCHEMBL28317425 | 0.75 | ESR1 (0.40) | TSHRALDH1A1HSD17B10TDP1CES1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2245123-A2 | ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME | Chemtura Corporation (US) | 2010-11-03 | — | — | EP | disclosed |
| WO-2009076091-A2 | ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME | CHEMTURA CORPORATION (US) | 2009-06-18 | — | — | WO | disclosed |