Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Isopropylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.74 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.74 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.74 |
| ▸ | MAOA | P21397 | 2/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | DRD4 | P21917 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | ANPEP | P15144 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Isopropyl Alcohol SCHEMBL17927504 | 0.87 | MEN1 (0.74) | MEN1KMT2ATDP1MAOACHRM2 | |
| SCHEMBL5764 | 0.86 | MEN1 (1.00) | MEN1KMT2ATDP1MAOACHRM2 | |
| SCHEMBL11253767 | 0.86 | MEN1 (0.59) | MEN1KMT2ATDP1MAOACHRM2 | |
| SCHEMBL4922899 | 0.84 | MEN1 (0.94) | MEN1KMT2ATDP1MAOACHRM2 | |
| SCHEMBL5040570 | 0.84 | MEN1 (0.94) | MEN1KMT2ATDP1MAOACHRM2 | |
| Water SCHEMBL4230715 | 0.84 | MEN1 (0.94) | MEN1KMT2ATDP1MAOACHRM2 | |
| Hydrochloric Acid SCHEMBL5845845 | 0.84 | MEN1 (0.94) | MEN1KMT2ATDP1MAOACHRM2 | |
| SCHEMBL4913828 | 0.84 | MEN1 (0.94) | MEN1KMT2ATDP1MAOACHRM2 | |
| Ammonia Solution, Strong SCHEMBL6678345 | 0.84 | MEN1 (0.94) | MEN1KMT2ATDP1MAOACHRM2 | |
| Hydrochloric Acid SCHEMBL11324591 | 0.84 | MEN1 (0.94) | MEN1KMT2ATDP1MAOACHRM2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010130708-A1 | BETA-LACTAMASE INHIBITORS | NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) | 2010-11-18 | — | — | WO | disclosed |