Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 2/20 | 0.66 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.66 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.66 |
| ▸ | MAOA | P21397 | 1/20 | 0.66 |
| ▸ | HTR2C | P28335 | 1/20 | 0.66 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.66 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.66 |
| ▸ | ATM | Q13315 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.53 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.53 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL13439969 | 0.90 | KMT2A (0.57) | HTR3ACHRM2CHRM3MAOAHTR2C | |
| SCHEMBL31555691 | 0.88 | TDP1 (0.62) | HTR3ACHRM2CHRM3MAOAHTR2C | |
| SCHEMBL13439967 | 0.88 | TDP1 (0.62) | HTR3ACHRM2CHRM3MAOAHTR2C | |
| SCHEMBL5925611 | 0.84 | L3MBTL1 (0.62) | HTR3ACHRM2CHRM3MAOAHTR2C | |
| SCHEMBL2984468 | 0.84 | TDP1 (0.64) | L3MBTL1TDP1PKMALDH1A1SMN1; SMN2 | |
| SCHEMBL7225692 | 0.83 | TDP1 (0.63) | TDP1PKMALDH1A1SMN1; SMN2ADRB2 | |
| SCHEMBL8490992 | 0.83 | TDP1 (0.70) | TDP1PKMALDH1A1SMN1; SMN2ADRB2 | |
| SCHEMBL28159229 | 0.82 | SCN1A (0.61) | HTR3ACHRM2CHRM3MAOAHTR2C | |
| SCHEMBL20143217 | 0.81 | HTR3A (0.74) | HTR3ACHRM2CHRM3MAOAHTR2C | |
| Chloroprocaine SCHEMBL29354179 | 0.80 | HRH3 (1.00) | HTR3ACHRM2CHRM3MAOAHTR2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5336808-A | Process for the preparation of 3,5-diaminobenzotrifluoride | OCCIDENTAL CHEMICAL CORPORATION (US) | 1994-08-09 | — | — | US | disclosed |
| US-5144076-A | Preparation of 3,5-diamino benzotrifluoride | OCCIDENTAL CHEMICAL CORPORATION (US) | 1992-09-01 | — | — | US | disclosed |
| EP-0490115-A1 | Process for the preparation of 3,5-diaminobenzotrifluoride | OCCIDENTAL CHEMICAL CORPORATION (US) | 1992-06-17 | — | — | EP | disclosed |
| EP-0484767-A1 | Preparation of 3,5-diamino benzotrifluoride | OCCIDENTAL CHEMICAL CORPORATION (US) | 1992-05-13 | — | — | EP | disclosed |