Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | METAP2 | P50579 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | CTSB | P07858 | 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 | |
|---|---|---|---|---|
| SCHEMBL28116299 | 0.81 | NPSR1 (0.52) | LMNACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL22700102 | 0.81 | KDM4E (0.52) | TDP1LMNACYP3A4POLBMAOB | |
| SCHEMBL14776233 | 0.77 | TDP1 (0.46) | IDO1TDP1L3MBTL1LMNACYP1A2 | |
| SCHEMBL11265077 | 0.77 | KCNH3 (0.57) | LMNAMETAP2METAP1 | |
| SCHEMBL7072380 | 0.73 | ALDH1A1 (0.42) | IDO1TDP1L3MBTL1LMNACYP1A2 | |
| SCHEMBL18962146 | 0.73 | CYP3A4 (0.46) | IDO1L3MBTL1LMNACYP1A2CYP3A4 | |
| SCHEMBL8534443 | 0.73 | IDO1 (0.42) | IDO1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6676668 | 0.73 | TDP1 (0.42) | IDO1TDP1L3MBTL1LMNACYP1A2 | |
| SCHEMBL9577412 | 0.73 | IDO1 (0.41) | IDO1TDP1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL31161041 | 0.73 | SMN1; SMN2 (0.44) | TDP1L3MBTL1LMNACYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105646396-B | A kind of synthetic method of benzothiazole derivant | 上海应用技术学院 | 2018-09-14 | — | — | CN | claimed |
| WO-2010068296-A1 | PIPERAZINE CARBOXAMIDINES AS ANTIMICROBIAL AGENTS | STIEFEL LABORATORIES, INC. (US) | 2010-06-17 | — | — | WO | disclosed |
| US-5116851-A | Administering antiischemic and antiarrhythmia agents | E. R. SQUIBB & SONS, INC. (US) | 1992-05-26 | — | — | US | disclosed |
| EP-0453658-A2 | Use of substituted anilides and sulfonamides in the treatment of cardiovascular diseases | E.R. SQUIBB & SONS, INC. (US) | 1991-10-30 | — | — | EP | disclosed |