Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 2/20 | 0.42 |
| ▸ | PTPRC | P08575 | 1/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9230962 | 0.83 | ALDH1A1 (0.43) | TSHRTDP1ALDH1A1CYP3A4LMNA | |
| SCHEMBL30330229 | 0.83 | ALDH1A1 (0.43) | TSHRTDP1ALDH1A1CYP3A4LMNA | |
| SCHEMBL22058720 | 0.83 | CA1 (0.46) | TSHRTDP1ALDH1A1CYP3A4LMNA | |
| SCHEMBL10920807 | 0.83 | HSD17B10 (0.46) | TSHRTDP1ALDH1A1CYP3A4LMNA | |
| SCHEMBL30849385 | 0.83 | ALDH1A1 (0.43) | TSHRTDP1ALDH1A1CYP3A4LMNA | |
| SCHEMBL24179080 | 0.83 | TSHR (0.42) | TSHRTDP1ALDH1A1CYP3A4LMNA | |
| SCHEMBL9427783 | 0.82 | AKR1B1 (0.42) | CYP1A2CYP2C9CYP2C19TSHRTDP1 | |
| SCHEMBL1749524 | 0.82 | MAPT (0.51) | CYP1A2CYP2C9CYP2C19TSHRTDP1 | |
| SCHEMBL28882693 | 0.82 | HTT (0.44) | CYP1A2CYP2C9CYP2C19TSHRTDP1 | |
| SCHEMBL12483210 | 0.82 | HTT (0.44) | CYP1A2CYP2C9CYP2C19TSHRTDP1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019178547-A1 | BENZOXAZINE POLYMERS AND METHODS OF MAKING AND USING THE SAME | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2019-09-19 | — | — | WO | disclosed |
| US-5318963-A | Heterocyclic hydrazide derivatives of monocyclic β-lactam antibiotics | E. R. SQUIBB & SONS, INC. (US) | 1994-06-07 | — | — | US | disclosed |
| EP-0525877-A1 | Pesticidal heterocyclic compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1993-02-03 | — | — | EP | disclosed |
| US-5037983-A | 6,7-dihydroxyquinoxalines as intermediates to beta-lactam antibiotics | E. R. SQUIBB & SONS, INC. (US) | 1991-08-06 | — | — | US | disclosed |
| EP-0420069-A2 | Heterocyclic hydrazide derivatives of monocyclic beta-lactam antibiotics | E.R. SQUIBB & SONS, INC. (US) | 1991-04-03 | — | — | EP | disclosed |
| EP-0342423-A2 | Heteroaroylhydrazide derivatives of monocyclic beta-lactam antibiotics | E.R. SQUIBB & SONS, INC. (US) | 1989-11-23 | — | — | EP | disclosed |
| US-4599347-A | ANTIULCER AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1986-07-08 | — | — | US | disclosed |
| US-4554280-A | ANTISECRETORY AGENTS, ANTIULCER AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1985-11-19 | — | — | US | disclosed |
| US-4435406-A | 2-PYRIDYL DERIVATIVES OF 1,3-DIOXOLO(4,5-F)BENZIMIDAZOLE RING COMPOUNDS | HOFFMANN-LA ROCHE INC. (US) | 1984-03-06 | — | — | US | disclosed |
| US-4144341-A | ANTIPYRETICS, ANALGESICS AND ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. (US) | 1979-03-13 | — | — | US | disclosed |
| US-4000286-A | ANALGESICS, ANTIINFLAMMATORY AND ANTIPYRETIC AGENTS | MERCK & CO., INC. (US) | 1976-12-28 | — | — | US | disclosed |