Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Indinavir Anhydrous. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.99 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.99 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.99 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.99 |
| ▸ | TACR2 | P21452 | 1/20 | 0.99 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.99 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.99 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.99 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.95 |
| ▸ | LMNA | P02545 | 1/20 | 0.95 |
| ▸ | CYP2D6 | P10635 | 13/20 | 0.75 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.55 |
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 | |
|---|---|---|---|---|
| Indinavir Anhydrous SCHEMBL17787450 | 1.00 | CYP3A4 (0.99) | CYP3A4ABCC3ABCB11ABCB1TACR2 | |
| Indinavir Anhydrous SCHEMBL7752012 | 1.00 | CYP3A4 (0.99) | CYP3A4ABCC3ABCB11ABCB1TACR2 | |
| Indinavir Anhydrous SCHEMBL13575769 | 1.00 | CYP3A4 (0.99) | CYP3A4ABCC3ABCB11ABCB1TACR2 | |
| Indinavir Anhydrous SCHEMBL6766271 | 1.00 | CYP3A4 (0.99) | CYP3A4ABCC3ABCB11ABCB1TACR2 | |
| Indinavir Anhydrous SCHEMBL2671734 | 1.00 | CYP3A4 (0.99) | CYP3A4ABCC3ABCB11ABCB1TACR2 | |
| Indinavir Anhydrous SCHEMBL14287519 | 1.00 | CYP3A4 (0.99) | CYP3A4ABCC3ABCB11ABCB1TACR2 | |
| Indinavir Anhydrous SCHEMBL20399698 | 1.00 | CYP3A4 (0.99) | CYP3A4ABCC3ABCB11ABCB1TACR2 | |
| Indinavir Anhydrous SCHEMBL21683359 | 1.00 | CYP3A4 (0.99) | CYP3A4ABCC3ABCB11ABCB1TACR2 | |
| Indinavir Anhydrous SCHEMBL21578565 | 1.00 | CYP3A4 (0.99) | CYP3A4ABCC3ABCB11ABCB1TACR2 | |
| Indinavir Anhydrous SCHEMBL1176257 | 1.00 | CYP3A4 (0.99) | CYP3A4ABCC3ABCB11ABCB1TACR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6156895-A | Process for preparing 4-tert-butyloxycarbonyl-(S)-piperazine-2-tert-butylcarboxamide | MERCK & CO., INC. (US) | 2000-12-05 | — | — | US | disclosed |
| US-5977364-A | Process for preparing 4-tert-butyloxycarbonyl-(S)-piperazine-2-tert-butylcarboxamide | MERCK & CO., INC. (US) | 1999-11-02 | — | — | US | disclosed |
| EP-0815102-A1 | REDUCTIVE ALKYLATION PROCESS FOR THE PREPARATION N-(2-(R)-HYDROXY-1-(S)-INDANYL)-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-(1-(4-(3-PYRIDYLMETHYL)-2(S)-N'-(t-BUTYLCARBOXAMIDO)-PIPERAZINYL))-PENTANEAMIDE (=COMPOUND J OR L-735,524) | Merck & Co., Inc. (US) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996028440-A1 | REDUCTIVE ALKYLATION PROCESS FOR THE PREPARATION N-(2-(R)-HYDROXY-1-(S)-INDANYL)-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-(1-(4-(3-PYRIDYLMETHYL)-2(S)-N'-(t-BUTYLCARBOXAMIDO)-PIPERAZINYL))-PENTANEAMIDE (=COMPOUND J OR L-735,524) | MERCK & CO., INC. (US) | 1996-09-19 | — | — | WO | disclosed |
| US-5508404-A | 3-PYRIDINE CARBOXALDEHYDE AS REACTANT IN PRESENCE OF EXCESS REDUCING AGENT YIELDING HIV PROTEASE INHIBITOR | MERCK & CO., INC. (US) | 1996-04-16 | — | — | US | disclosed |