Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | COMT | P21964 | 2/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11313940 | 0.76 | TDP1 (0.42) | ALDH1A1TDP1L3MBTL1POLBIMPDH2 | |
| SCHEMBL9353470 | 0.75 | MEN1 (0.37) | ALDH1A1TDP1TSHRCOMTGPR35 | |
| SCHEMBL13948532 | 0.73 | TDP1 (0.46) | ALDH1A1TDP1L3MBTL1POLBIMPDH2 | |
| SCHEMBL5586662 | 0.73 | LDHA (0.42) | ALDH1A1TDP1L3MBTL1IMPDH2TSHR | |
| SCHEMBL15214238 | 0.73 | TDP1 (0.40) | ALDH1A1TDP1L3MBTL1IMPDH2TSHR | |
| SCHEMBL15958199 | 0.71 | TDP1 (0.44) | ALDH1A1TDP1L3MBTL1POLBIMPDH2 | |
| SCHEMBL21224555 | 0.71 | TDP1 (0.44) | ALDH1A1TDP1L3MBTL1POLBIMPDH2 | |
| SCHEMBL8041784 | 0.71 | DPP4 (0.36) | ALDH1A1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL610592 | 0.70 | TSHR (0.47) | ALDH1A1CYP1A2CYP2D6CYP2C19CDK2 | |
| SCHEMBL28840200 | 0.70 | ALDH1A1 (0.40) | ALDH1A1CYP1A2POLBTSHRGPR35 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0686144-B1 | NEW COMPOUNDS | UNIV MARYLAND (US) | 2000-04-19 | — | — | EP | disclosed |
| US-5688945-A | Compounds | ASTRA AKTIEBOLAG (SE) | 1997-11-18 | — | — | US | disclosed |
| US-5661183-A | 3-hydroxy anthanilic acid derivatives | THE UNIVERSITY OF MARYLAND (US) | 1997-08-26 | — | — | US | disclosed |
| EP-0686144-A1 | NEW COMPOUNDS | Astra Aktiebolag (SE) | 1995-12-13 | — | — | EP | disclosed |
| WO-1994019315-A1 | NEW COMPOUNDS | ASTRA AKTIEBOLAG (SE) | 1994-09-01 | — | — | WO | disclosed |